N-[(1-butanoylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide

C15H23N3O2 — CID 142177078

IUPACN-[(1-butanoylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide
SMILESCCCC(=O)N1CCC(CNC(=O)c2cc[nH]c2)CC1
InChIInChI=1S/C15H23N3O2/c1-2-3-14(19)18-8-5-12(6-9-18)10-17-15(20)13-4-7-16-11-13/h4,7,11-12,16H,2-3,5-6,8-10H2,1H3,(H,17,20)
InChIKeyLGURQMZPBQGJHL-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.78
Rot. Bonds5

About N-[(1-butanoylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide

N-[(1-butanoylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide (PubChem CID 142177078) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[(1-butanoylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-butanoylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide
PubChem CID142177078
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[(1-butanoylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide
SMILESCCCC(=O)N1CCC(CNC(=O)c2cc[nH]c2)CC1
InChIInChI=1S/C15H23N3O2/c1-2-3-14(19)18-8-5-12(6-9-18)10-17-15(20)13-4-7-16-11-13/h4,7,11-12,16H,2-3,5-6,8-10H2,1H3,(H,17,20)
InChIKeyLGURQMZPBQGJHL-UHFFFAOYSA-N
XLogP1.78
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide
CID 58933544
N-[[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide
CID 58933562
N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide
CID 59074854
ethyl [4-[[1-(3-methoxypropanoyl)piperidin-4-yl]methylcarbamoyl]phenyl] carbonate
CID 108930091
4-[[(6-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidine-1-carboxylic acid
CID 90818078
1-butanoyl-N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide
CID 42878774
1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one
CID 110289503
1-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-3-propylbenzimidazol-2-one;hydrochloride
CID 119543880
N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-pyrrole-3-carboxamide
CID 90652236
tert-butyl N-[3-[4-[[[4-(dimethylamino)benzoyl]amino]methyl]piperidin-1-yl]-3-oxopropyl]carbamate
CID 108919430
N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride
CID 119546157
N-[[1-(3-methoxypropanoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 131947637

Frequently Asked Questions

What is the IUPAC name of N-[(1-butanoylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[(1-butanoylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide (CID 142177078) is N-[(1-butanoylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(1-butanoylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(1-butanoylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide is CCCC(=O)N1CCC(CNC(=O)c2cc[nH]c2)CC1.
What is the InChIKey of N-[(1-butanoylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide?
The InChIKey is LGURQMZPBQGJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-3-14(19)18-8-5-12(6-9-18)10-17-15(20)13-4-7-16-11-13/h4,7,11-12,16H,2-3,5-6,8-10H2,1H3,(H,17,20).
What are the key properties of N-[(1-butanoylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide?
N-[(1-butanoylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butanoylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 142177078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).