(3S)-N-cyclohexyl-1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide

C20H31N3O2 — CID 95990214

IUPAC(3S)-N-cyclohexyl-1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide
SMILESCc1[nH]c(C(=O)N2CCC[C@H](C(=O)NC3CCCCC3)C2)c(C)c1C
InChIInChI=1S/C20H31N3O2/c1-13-14(2)18(21-15(13)3)20(25)23-11-7-8-16(12-23)19(24)22-17-9-5-4-6-10-17/h16-17,21H,4-12H2,1-3H3,(H,22,24)/t16-/m0/s1
InChIKeyWVVLVOKRWHTCOT-INIZCTEOSA-N
MW345.49 g/mol
LogP3.24
Rot. Bonds3

About (3S)-N-cyclohexyl-1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide

(3S)-N-cyclohexyl-1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide (PubChem CID 95990214) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is (3S)-N-cyclohexyl-1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-cyclohexyl-1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide
PubChem CID95990214
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name(3S)-N-cyclohexyl-1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide
SMILESCc1[nH]c(C(=O)N2CCC[C@H](C(=O)NC3CCCCC3)C2)c(C)c1C
InChIInChI=1S/C20H31N3O2/c1-13-14(2)18(21-15(13)3)20(25)23-11-7-8-16(12-23)19(24)22-17-9-5-4-6-10-17/h16-17,21H,4-12H2,1-3H3,(H,22,24)/t16-/m0/s1
InChIKeyWVVLVOKRWHTCOT-INIZCTEOSA-N
XLogP3.24
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 5-[(3S)-3-(cycloheptylcarbamoyl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 97043517
propan-2-yl 5-[(3S)-3-(cyclohexylcarbamoyl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 93065640
propan-2-yl 5-[(3R)-3-(cyclopentylcarbamoyl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 93065629
(3R)-N-cyclooctyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082784
methyl 2,4-dimethyl-5-[3-(propan-2-ylcarbamoyl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate
CID 53067424
(3R)-N-cyclopentyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 25392682
N-(3-morpholin-4-ylpropyl)-1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide
CID 53006151
N-cyclohexyl-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 50803988
3-N-cyclohexyl-1-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 51055483
(3R)-1-N-cyclohexyl-3-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 7435356
ethyl 4-[3-[(3R)-3-(cyclopropylcarbamoyl)piperidin-1-yl]-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 93069909
methyl 5-[(3R)-3-(2-methoxyethylcarbamoyl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 93065617

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclohexyl-1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-cyclohexyl-1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide (CID 95990214) is (3S)-N-cyclohexyl-1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-cyclohexyl-1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-cyclohexyl-1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide is Cc1[nH]c(C(=O)N2CCC[C@H](C(=O)NC3CCCCC3)C2)c(C)c1C.
What is the InChIKey of (3S)-N-cyclohexyl-1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is WVVLVOKRWHTCOT-INIZCTEOSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-13-14(2)18(21-15(13)3)20(25)23-11-7-8-16(12-23)19(24)22-17-9-5-4-6-10-17/h16-17,21H,4-12H2,1-3H3,(H,22,24)/t16-/m0/s1.
What are the key properties of (3S)-N-cyclohexyl-1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide?
(3S)-N-cyclohexyl-1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclohexyl-1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 95990214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).