ethyl 4-[6-[(4-chlorophenyl)carbamoyl]-3-pyridinyl]piperazine-1-carboxylate

C19H21ClN4O3 — CID 109194209

IUPACethyl 4-[6-[(4-chlorophenyl)carbamoyl]-3-pyridinyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)cc3)nc2)CC1
InChIInChI=1S/C19H21ClN4O3/c1-2-27-19(26)24-11-9-23(10-12-24)16-7-8-17(21-13-16)18(25)22-15-5-3-14(20)4-6-15/h3-8,13H,2,9-12H2,1H3,(H,22,25)
InChIKeyQKHLRVVPGDPNOC-UHFFFAOYSA-N
MW388.86 g/mol
LogP3.27
Rot. Bonds4

About ethyl 4-[6-[(4-chlorophenyl)carbamoyl]-3-pyridinyl]piperazine-1-carboxylate

ethyl 4-[6-[(4-chlorophenyl)carbamoyl]-3-pyridinyl]piperazine-1-carboxylate (PubChem CID 109194209) has the molecular formula C19H21ClN4O3 and a molecular weight of 388.86 g/mol. Its IUPAC name is ethyl 4-[6-[(4-chlorophenyl)carbamoyl]-3-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[6-[(4-chlorophenyl)carbamoyl]-3-pyridinyl]piperazine-1-carboxylate
PubChem CID109194209
Molecular FormulaC19H21ClN4O3
Molecular Weight388.86 g/mol
Exact Mass388.13
IUPAC Nameethyl 4-[6-[(4-chlorophenyl)carbamoyl]-3-pyridinyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)cc3)nc2)CC1
InChIInChI=1S/C19H21ClN4O3/c1-2-27-19(26)24-11-9-23(10-12-24)16-7-8-17(21-13-16)18(25)22-15-5-3-14(20)4-6-15/h3-8,13H,2,9-12H2,1H3,(H,22,25)
InChIKeyQKHLRVVPGDPNOC-UHFFFAOYSA-N
XLogP3.27
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[4-[(4-chlorobenzoyl)amino]phenyl]piperazine-1-carboxylate
CID 112984401
ethyl 4-[6-[(4-chlorophenyl)carbamoyl]pyrimidin-4-yl]piperazine-1-carboxylate
CID 109352825
N-(4-chlorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109193461
ethyl 4-[5-(4-acetylpiperazin-1-yl)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109187379
ethyl 4-[5-[(4-propan-2-ylphenyl)carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate
CID 109286341
ethyl 4-[6-(2-phenylethylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109191756
5-(azepan-1-yl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109196897
ethyl 4-[2-(phenylcarbamoyl)-4-pyridinyl]piperazine-1-carboxylate
CID 109215966
ethyl 4-[6-[(4-methylbenzoyl)amino]-3-pyridinyl]piperazine-1-carboxylate
CID 113029292
ethyl 4-[5-[(4-methoxyphenyl)carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate
CID 109286350
ethyl 4-[6-[(4-ethoxyphenyl)carbamoyl]pyridazin-3-yl]piperazine-1-carboxylate
CID 109123840
ethyl 4-[6-(oxolan-2-ylmethylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109184969

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[6-[(4-chlorophenyl)carbamoyl]-3-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[6-[(4-chlorophenyl)carbamoyl]-3-pyridinyl]piperazine-1-carboxylate (CID 109194209) is ethyl 4-[6-[(4-chlorophenyl)carbamoyl]-3-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[6-[(4-chlorophenyl)carbamoyl]-3-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[6-[(4-chlorophenyl)carbamoyl]-3-pyridinyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)cc3)nc2)CC1.
What is the InChIKey of ethyl 4-[6-[(4-chlorophenyl)carbamoyl]-3-pyridinyl]piperazine-1-carboxylate?
The InChIKey is QKHLRVVPGDPNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3/c1-2-27-19(26)24-11-9-23(10-12-24)16-7-8-17(21-13-16)18(25)22-15-5-3-14(20)4-6-15/h3-8,13H,2,9-12H2,1H3,(H,22,25).
What are the key properties of ethyl 4-[6-[(4-chlorophenyl)carbamoyl]-3-pyridinyl]piperazine-1-carboxylate?
ethyl 4-[6-[(4-chlorophenyl)carbamoyl]-3-pyridinyl]piperazine-1-carboxylate has a molecular weight of 388.86 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[6-[(4-chlorophenyl)carbamoyl]-3-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 109194209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).