1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-(3-methylbutyl)piperidine-3-carboxamide

C18H29N3O2 — CID 53067329

IUPAC1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-(3-methylbutyl)piperidine-3-carboxamide
SMILESCc1cc(C)c(C(=O)N2CCCC(C(=O)NCCC(C)C)C2)[nH]1
InChIInChI=1S/C18H29N3O2/c1-12(2)7-8-19-17(22)15-6-5-9-21(11-15)18(23)16-13(3)10-14(4)20-16/h10,12,15,20H,5-9,11H2,1-4H3,(H,19,22)
InChIKeyRVVZJVGOKSZQLZ-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.65
Rot. Bonds5

About 1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-(3-methylbutyl)piperidine-3-carboxamide

1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-(3-methylbutyl)piperidine-3-carboxamide (PubChem CID 53067329) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-(3-methylbutyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-(3-methylbutyl)piperidine-3-carboxamide
PubChem CID53067329
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-(3-methylbutyl)piperidine-3-carboxamide
SMILESCc1cc(C)c(C(=O)N2CCCC(C(=O)NCCC(C)C)C2)[nH]1
InChIInChI=1S/C18H29N3O2/c1-12(2)7-8-19-17(22)15-6-5-9-21(11-15)18(23)16-13(3)10-14(4)20-16/h10,12,15,20H,5-9,11H2,1-4H3,(H,19,22)
InChIKeyRVVZJVGOKSZQLZ-UHFFFAOYSA-N
XLogP2.65
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 53067354
(3S)-N-[2-[benzyl(methyl)amino]ethyl]-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide
CID 97043409
(3S)-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 95990180
methyl 2,4-dimethyl-5-[3-(3-methylbutylcarbamoyl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate
CID 53067425
1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]piperidine-3-carboxamide
CID 53027630
(3R)-1-(4-chlorobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 26253365
(3R)-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 93076085
N-(3-methylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239994
(3S)-1-(3-acetamidobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 92729485
1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 154750729
[(3S)-3-anilinopiperidin-1-yl]-(3,5-dimethyl-1H-pyrrol-2-yl)methanone
CID 25275368
2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)azepan-4-yl]acetic acid
CID 120950036

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-(3-methylbutyl)piperidine-3-carboxamide?
The IUPAC name of 1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-(3-methylbutyl)piperidine-3-carboxamide (CID 53067329) is 1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-(3-methylbutyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-(3-methylbutyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-(3-methylbutyl)piperidine-3-carboxamide is Cc1cc(C)c(C(=O)N2CCCC(C(=O)NCCC(C)C)C2)[nH]1.
What is the InChIKey of 1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-(3-methylbutyl)piperidine-3-carboxamide?
The InChIKey is RVVZJVGOKSZQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-12(2)7-8-19-17(22)15-6-5-9-21(11-15)18(23)16-13(3)10-14(4)20-16/h10,12,15,20H,5-9,11H2,1-4H3,(H,19,22).
What are the key properties of 1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-(3-methylbutyl)piperidine-3-carboxamide?
1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-(3-methylbutyl)piperidine-3-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-(3-methylbutyl)piperidine-3-carboxamide is sourced from PubChem (CID 53067329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).