(3S)-N-(cyclopropylmethyl)-1-(1H-indole-7-carbonyl)piperidine-3-carboxamide

C19H23N3O2 — CID 96559322

IUPAC(3S)-N-(cyclopropylmethyl)-1-(1H-indole-7-carbonyl)piperidine-3-carboxamide
SMILESO=C(NCC1CC1)[C@H]1CCCN(C(=O)c2cccc3cc[nH]c23)C1
InChIInChI=1S/C19H23N3O2/c23-18(21-11-13-6-7-13)15-4-2-10-22(12-15)19(24)16-5-1-3-14-8-9-20-17(14)16/h1,3,5,8-9,13,15,20H,2,4,6-7,10-12H2,(H,21,23)/t15-/m0/s1
InChIKeyYQYWNZQDZZETPY-HNNXBMFYSA-N
MW325.41 g/mol
LogP2.55
Rot. Bonds4

About (3S)-N-(cyclopropylmethyl)-1-(1H-indole-7-carbonyl)piperidine-3-carboxamide

(3S)-N-(cyclopropylmethyl)-1-(1H-indole-7-carbonyl)piperidine-3-carboxamide (PubChem CID 96559322) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (3S)-N-(cyclopropylmethyl)-1-(1H-indole-7-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(cyclopropylmethyl)-1-(1H-indole-7-carbonyl)piperidine-3-carboxamide
PubChem CID96559322
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(3S)-N-(cyclopropylmethyl)-1-(1H-indole-7-carbonyl)piperidine-3-carboxamide
SMILESO=C(NCC1CC1)[C@H]1CCCN(C(=O)c2cccc3cc[nH]c23)C1
InChIInChI=1S/C19H23N3O2/c23-18(21-11-13-6-7-13)15-4-2-10-22(12-15)19(24)16-5-1-3-14-8-9-20-17(14)16/h1,3,5,8-9,13,15,20H,2,4,6-7,10-12H2,(H,21,23)/t15-/m0/s1
InChIKeyYQYWNZQDZZETPY-HNNXBMFYSA-N
XLogP2.55
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 1-(1H-indole-7-carbonyl)pyrrolidine-3-carboxylate
CID 79035876
N-(cyclopropylmethyl)-3-(1H-indole-7-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 71926349
1H-indol-7-yl-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]methanone
CID 97235875
N-(cyclopropylmethyl)-1-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide
CID 78882073
(3,4-dihydroxypyrrolidin-1-yl)-(1H-indol-7-yl)methanone
CID 106671264
N-(cyclopropylmethyl)-1-(4-fluoro-1H-benzimidazole-5-carbonyl)piperidine-3-carboxamide
CID 126831173
N-(2-methoxyethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239971
3,9-diazabicyclo[4.2.1]nonan-3-yl(1H-indol-7-yl)methanone
CID 115313973
cyclopropane;[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-(1H-indol-7-yl)methanone
CID 142015086
(3R)-1-(4-cyclohexylbenzoyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 51954362
N-(cyclopropylmethyl)-1-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]piperidine-3-carboxamide
CID 55748195
N-(3-methylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239994

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(cyclopropylmethyl)-1-(1H-indole-7-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(cyclopropylmethyl)-1-(1H-indole-7-carbonyl)piperidine-3-carboxamide (CID 96559322) is (3S)-N-(cyclopropylmethyl)-1-(1H-indole-7-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(cyclopropylmethyl)-1-(1H-indole-7-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(cyclopropylmethyl)-1-(1H-indole-7-carbonyl)piperidine-3-carboxamide is O=C(NCC1CC1)[C@H]1CCCN(C(=O)c2cccc3cc[nH]c23)C1.
What is the InChIKey of (3S)-N-(cyclopropylmethyl)-1-(1H-indole-7-carbonyl)piperidine-3-carboxamide?
The InChIKey is YQYWNZQDZZETPY-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-18(21-11-13-6-7-13)15-4-2-10-22(12-15)19(24)16-5-1-3-14-8-9-20-17(14)16/h1,3,5,8-9,13,15,20H,2,4,6-7,10-12H2,(H,21,23)/t15-/m0/s1.
What are the key properties of (3S)-N-(cyclopropylmethyl)-1-(1H-indole-7-carbonyl)piperidine-3-carboxamide?
(3S)-N-(cyclopropylmethyl)-1-(1H-indole-7-carbonyl)piperidine-3-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(cyclopropylmethyl)-1-(1H-indole-7-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 96559322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).