pyridin-3-yl 4-(1-methylindole-2-carbonyl)piperazine-1-carboxylate

C20H20N4O3 — CID 46199909

IUPACpyridin-3-yl 4-(1-methylindole-2-carbonyl)piperazine-1-carboxylate
SMILESCn1c(C(=O)N2CCN(C(=O)Oc3cccnc3)CC2)cc2ccccc21
InChIInChI=1S/C20H20N4O3/c1-22-17-7-3-2-5-15(17)13-18(22)19(25)23-9-11-24(12-10-23)20(26)27-16-6-4-8-21-14-16/h2-8,13-14H,9-12H2,1H3
InChIKeyGBGYMKHUUYNGSJ-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.53
Rot. Bonds2

About pyridin-3-yl 4-(1-methylindole-2-carbonyl)piperazine-1-carboxylate

pyridin-3-yl 4-(1-methylindole-2-carbonyl)piperazine-1-carboxylate (PubChem CID 46199909) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is pyridin-3-yl 4-(1-methylindole-2-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namepyridin-3-yl 4-(1-methylindole-2-carbonyl)piperazine-1-carboxylate
PubChem CID46199909
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Namepyridin-3-yl 4-(1-methylindole-2-carbonyl)piperazine-1-carboxylate
SMILESCn1c(C(=O)N2CCN(C(=O)Oc3cccnc3)CC2)cc2ccccc21
InChIInChI=1S/C20H20N4O3/c1-22-17-7-3-2-5-15(17)13-18(22)19(25)23-9-11-24(12-10-23)20(26)27-16-6-4-8-21-14-16/h2-8,13-14H,9-12H2,1H3
InChIKeyGBGYMKHUUYNGSJ-UHFFFAOYSA-N
XLogP2.53
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze pyridin-3-yl 4-(1-methylindole-2-carbonyl)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

Related Compounds

(1-methylindol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 7329083
(1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 29139344
ethane;[4-[3-(methylamino)-2-pyridinyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone
CID 91005889
[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone
CID 71725004
(1-methylindol-2-yl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone
CID 90380576
(2,3-dichlorophenyl)-[4-(1-methylindole-2-carbonyl)piperazin-1-yl]methanone
CID 55881568
(1-methylindol-2-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone
CID 164547017
molecular hydrogen;pyridin-3-yl 4-(1H-benzimidazole-2-carbonyl)piperazine-1-carboxylate
CID 143986416
1-O-benzyl 4-O-pyridin-3-yl piperazine-1,4-dicarboxylate
CID 58417900
phenyl 1-methylindole-2-carboxylate
CID 47299897
(1-methylindol-2-yl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone
CID 155873055
pyridin-3-yl 4-(6-chloro-1-benzothiophene-2-carbonyl)piperazine-1-carboxylate
CID 58417846

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl 4-(1-methylindole-2-carbonyl)piperazine-1-carboxylate?
The IUPAC name of pyridin-3-yl 4-(1-methylindole-2-carbonyl)piperazine-1-carboxylate (CID 46199909) is pyridin-3-yl 4-(1-methylindole-2-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for pyridin-3-yl 4-(1-methylindole-2-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for pyridin-3-yl 4-(1-methylindole-2-carbonyl)piperazine-1-carboxylate is Cn1c(C(=O)N2CCN(C(=O)Oc3cccnc3)CC2)cc2ccccc21.
What is the InChIKey of pyridin-3-yl 4-(1-methylindole-2-carbonyl)piperazine-1-carboxylate?
The InChIKey is GBGYMKHUUYNGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-22-17-7-3-2-5-15(17)13-18(22)19(25)23-9-11-24(12-10-23)20(26)27-16-6-4-8-21-14-16/h2-8,13-14H,9-12H2,1H3.
What are the key properties of pyridin-3-yl 4-(1-methylindole-2-carbonyl)piperazine-1-carboxylate?
pyridin-3-yl 4-(1-methylindole-2-carbonyl)piperazine-1-carboxylate has a molecular weight of 364.41 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl 4-(1-methylindole-2-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 46199909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).