[4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1H-imidazol-5-yl)ethyl]piperazine-1-carboxylate;[4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate;[4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1H-pyrrol-2-yl)ethyl]piperazine-1-carboxylate

C71H84N14O9 — CID 87883004

IUPAC[4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1H-imidazol-5-yl)ethyl]piperazine-1-carboxylate;[4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate;[4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1H-pyrrol-2-yl)ethyl]piperazine-1-carboxylate
SMILESCn1cnc(CCN2CCN(C(=O)Oc3ccc(CCOc4ccncc4)cc3)CC2)c1.O=C(Oc1ccc(CCOc2ccncc2)cc1)N1CCN(CCc2ccc[nH]2)CC1.O=C(Oc1ccc(CCOc2ccncc2)cc1)N1CCN(CCc2cnc[nH]2)CC1
InChIInChI=1S/C24H29N5O3.C24H28N4O3.C23H27N5O3/c1-27-18-21(26-19-27)8-12-28-13-15-29(16-14-28)24(30)32-23-4-2-20(3-5-23)9-17-31-22-6-10-25-11-7-22;29-24(28-17-15-27(16-18-28)14-9-21-2-1-11-26-21)31-23-5-3-20(4-6-23)10-19-30-22-7-12-25-13-8-22;29-23(28-14-12-27(13-15-28)11-7-20-17-25-18-26-20)31-22-3-1-19(2-4-22)8-16-30-21-5-9-24-10-6-21/h2-7,10-11,18-19H,8-9,12-17H2,1H3;1-8,11-13,26H,9-10,14-19H2;1-6,9-10,17-18H,7-8,11-16H2,(H,25,26)
InChIKeyXZVZFTZZCUUHLL-UHFFFAOYSA-N
MW1277.54 g/mol
LogP8.97
Rot. Bonds24

About [4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1H-imidazol-5-yl)ethyl]piperazine-1-carboxylate;[4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate;[4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1H-pyrrol-2-yl)ethyl]piperazine-1-carboxylate

[4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1H-imidazol-5-yl)ethyl]piperazine-1-carboxylate;[4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate;[4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1H-pyrrol-2-yl)ethyl]piperazine-1-carboxylate (PubChem CID 87883004) has the molecular formula C71H84N14O9 and a molecular weight of 1277.54 g/mol. Its IUPAC name is [4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1H-imidazol-5-yl)ethyl]piperazine-1-carboxylate;[4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate;[4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1H-pyrrol-2-yl)ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Name[4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1H-imidazol-5-yl)ethyl]piperazine-1-carboxylate;[4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate;[4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1H-pyrrol-2-yl)ethyl]piperazine-1-carboxylate
PubChem CID87883004
Molecular FormulaC71H84N14O9
Molecular Weight1277.54 g/mol
Exact Mass1276.65
IUPAC Name[4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1H-imidazol-5-yl)ethyl]piperazine-1-carboxylate;[4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate;[4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1H-pyrrol-2-yl)ethyl]piperazine-1-carboxylate
SMILESCn1cnc(CCN2CCN(C(=O)Oc3ccc(CCOc4ccncc4)cc3)CC2)c1.O=C(Oc1ccc(CCOc2ccncc2)cc1)N1CCN(CCc2ccc[nH]2)CC1.O=C(Oc1ccc(CCOc2ccncc2)cc1)N1CCN(CCc2cnc[nH]2)CC1
InChIInChI=1S/C24H29N5O3.C24H28N4O3.C23H27N5O3/c1-27-18-21(26-19-27)8-12-28-13-15-29(16-14-28)24(30)32-23-4-2-20(3-5-23)9-17-31-22-6-10-25-11-7-22;29-24(28-17-15-27(16-18-28)14-9-21-2-1-11-26-21)31-23-5-3-20(4-6-23)10-19-30-22-7-12-25-13-8-22;29-23(28-14-12-27(13-15-28)11-7-20-17-25-18-26-20)31-22-3-1-19(2-4-22)8-16-30-21-5-9-24-10-6-21/h2-7,10-11,18-19H,8-9,12-17H2,1H3;1-8,11-13,26H,9-10,14-19H2;1-6,9-10,17-18H,7-8,11-16H2,(H,25,26)
InChIKeyXZVZFTZZCUUHLL-UHFFFAOYSA-N
XLogP8.97
TPSA226.99 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001277.54
LogP ≤ 58.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Analyze [4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1H-imidazol-5-yl)ethyl]piperazine-1-carboxylate;[4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate;[4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1H-pyrrol-2-yl)ethyl]piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1H-imidazol-5-yl)ethyl]piperazine-1-carboxylate;[4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate;[4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1H-pyrrol-2-yl)ethyl]piperazine-1-carboxylate?
The IUPAC name of [4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1H-imidazol-5-yl)ethyl]piperazine-1-carboxylate;[4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate;[4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1H-pyrrol-2-yl)ethyl]piperazine-1-carboxylate (CID 87883004) is [4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1H-imidazol-5-yl)ethyl]piperazine-1-carboxylate;[4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate;[4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1H-pyrrol-2-yl)ethyl]piperazine-1-carboxylate.
What is the SMILES notation for [4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1H-imidazol-5-yl)ethyl]piperazine-1-carboxylate;[4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate;[4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1H-pyrrol-2-yl)ethyl]piperazine-1-carboxylate?
The canonical SMILES for [4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1H-imidazol-5-yl)ethyl]piperazine-1-carboxylate;[4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate;[4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1H-pyrrol-2-yl)ethyl]piperazine-1-carboxylate is Cn1cnc(CCN2CCN(C(=O)Oc3ccc(CCOc4ccncc4)cc3)CC2)c1.O=C(Oc1ccc(CCOc2ccncc2)cc1)N1CCN(CCc2ccc[nH]2)CC1.O=C(Oc1ccc(CCOc2ccncc2)cc1)N1CCN(CCc2cnc[nH]2)CC1.
What is the InChIKey of [4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1H-imidazol-5-yl)ethyl]piperazine-1-carboxylate;[4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate;[4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1H-pyrrol-2-yl)ethyl]piperazine-1-carboxylate?
The InChIKey is XZVZFTZZCUUHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3.C24H28N4O3.C23H27N5O3/c1-27-18-21(26-19-27)8-12-28-13-15-29(16-14-28)24(30)32-23-4-2-20(3-5-23)9-17-31-22-6-10-25-11-7-22;29-24(28-17-15-27(16-18-28)14-9-21-2-1-11-26-21)31-23-5-3-20(4-6-23)10-19-30-22-7-12-25-13-8-22;29-23(28-14-12-27(13-15-28)11-7-20-17-25-18-26-20)31-22-3-1-19(2-4-22)8-16-30-21-5-9-24-10-6-21/h2-7,10-11,18-19H,8-9,12-17H2,1H3;1-8,11-13,26H,9-10,14-19H2;1-6,9-10,17-18H,7-8,11-16H2,(H,25,26).
What are the key properties of [4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1H-imidazol-5-yl)ethyl]piperazine-1-carboxylate;[4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate;[4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1H-pyrrol-2-yl)ethyl]piperazine-1-carboxylate?
[4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1H-imidazol-5-yl)ethyl]piperazine-1-carboxylate;[4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate;[4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1H-pyrrol-2-yl)ethyl]piperazine-1-carboxylate has a molecular weight of 1277.54 g/mol, XLogP of 8.97, 24 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1H-imidazol-5-yl)ethyl]piperazine-1-carboxylate;[4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate;[4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1H-pyrrol-2-yl)ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 87883004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).