(3S)-N-(2-indol-1-ylethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide

C21H25N5O2 — CID 126424079

IUPAC(3S)-N-(2-indol-1-ylethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
SMILESCn1ccnc1C(=O)[C@H]1CCCN(C(=O)NCCn2ccc3ccccc32)C1
InChIInChI=1S/C21H25N5O2/c1-24-13-9-22-20(24)19(27)17-6-4-11-26(15-17)21(28)23-10-14-25-12-8-16-5-2-3-7-18(16)25/h2-3,5,7-9,12-13,17H,4,6,10-11,14-15H2,1H3,(H,23,28)/t17-/m0/s1
InChIKeyQZVQTZAYYGZEAO-KRWDZBQOSA-N
MW379.46 g/mol
LogP2.68
Rot. Bonds5

About (3S)-N-(2-indol-1-ylethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide

(3S)-N-(2-indol-1-ylethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide (PubChem CID 126424079) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is (3S)-N-(2-indol-1-ylethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-indol-1-ylethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
PubChem CID126424079
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name(3S)-N-(2-indol-1-ylethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
SMILESCn1ccnc1C(=O)[C@H]1CCCN(C(=O)NCCn2ccc3ccccc32)C1
InChIInChI=1S/C21H25N5O2/c1-24-13-9-22-20(24)19(27)17-6-4-11-26(15-17)21(28)23-10-14-25-12-8-16-5-2-3-7-18(16)25/h2-3,5,7-9,12-13,17H,4,6,10-11,14-15H2,1H3,(H,23,28)/t17-/m0/s1
InChIKeyQZVQTZAYYGZEAO-KRWDZBQOSA-N
XLogP2.68
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-N-(2-indol-1-ylethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide with MolForge

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Related Compounds

N-[(4-methoxyphenyl)methyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
CID 119061153
(3S)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
CID 126447086
(3R)-N-(cyclohexylmethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
CID 126453049
(1-methylimidazol-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanone
CID 171914388
(3R)-3-(imidazol-1-ylmethyl)-N-(3-indol-1-ylpropyl)piperidine-1-carboxamide
CID 126433574
[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 70750788
(3R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
CID 126429422
1-[2-(benzimidazol-1-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122001859
N-[1-[2-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]benzamide
CID 45206511
N-[1-[2-[(3R)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]benzamide
CID 42483213
1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 70736283
[1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 70742832

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-indol-1-ylethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-(2-indol-1-ylethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide (CID 126424079) is (3S)-N-(2-indol-1-ylethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(2-indol-1-ylethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-(2-indol-1-ylethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide is Cn1ccnc1C(=O)[C@H]1CCCN(C(=O)NCCn2ccc3ccccc32)C1.
What is the InChIKey of (3S)-N-(2-indol-1-ylethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide?
The InChIKey is QZVQTZAYYGZEAO-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-24-13-9-22-20(24)19(27)17-6-4-11-26(15-17)21(28)23-10-14-25-12-8-16-5-2-3-7-18(16)25/h2-3,5,7-9,12-13,17H,4,6,10-11,14-15H2,1H3,(H,23,28)/t17-/m0/s1.
What are the key properties of (3S)-N-(2-indol-1-ylethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide?
(3S)-N-(2-indol-1-ylethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-indol-1-ylethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide is sourced from PubChem (CID 126424079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).