N-methyl-N-pentan-3-yl-1-piperidin-4-ylpyrrole-2-carboxamide

C16H27N3O — CID 62717118

IUPACN-methyl-N-pentan-3-yl-1-piperidin-4-ylpyrrole-2-carboxamide
SMILESCCC(CC)N(C)C(=O)c1cccn1C1CCNCC1
InChIInChI=1S/C16H27N3O/c1-4-13(5-2)18(3)16(20)15-7-6-12-19(15)14-8-10-17-11-9-14/h6-7,12-14,17H,4-5,8-11H2,1-3H3
InChIKeyCCABFLRKRJRUGX-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.67
Rot. Bonds5

About N-methyl-N-pentan-3-yl-1-piperidin-4-ylpyrrole-2-carboxamide

N-methyl-N-pentan-3-yl-1-piperidin-4-ylpyrrole-2-carboxamide (PubChem CID 62717118) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-methyl-N-pentan-3-yl-1-piperidin-4-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-pentan-3-yl-1-piperidin-4-ylpyrrole-2-carboxamide
PubChem CID62717118
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-methyl-N-pentan-3-yl-1-piperidin-4-ylpyrrole-2-carboxamide
SMILESCCC(CC)N(C)C(=O)c1cccn1C1CCNCC1
InChIInChI=1S/C16H27N3O/c1-4-13(5-2)18(3)16(20)15-7-6-12-19(15)14-8-10-17-11-9-14/h6-7,12-14,17H,4-5,8-11H2,1-3H3
InChIKeyCCABFLRKRJRUGX-UHFFFAOYSA-N
XLogP2.67
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-piperidin-4-yl-N-propan-2-ylpyrrole-2-carboxamide
CID 62716450
N-methyl-N-(2-methylbutan-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 63965050
3-[methyl-(1-piperidin-4-ylpyrrole-2-carbonyl)amino]propanoic acid
CID 62715589
N-(2-methoxyethyl)-N-methyl-1-piperidin-4-ylpyrrole-2-carboxamide
CID 62715240
N-cyclopentyl-N-ethyl-1-piperidin-4-ylpyrrole-2-carboxamide
CID 62716452
N-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 62715231
N-(2-amino-2-oxoethyl)-N-ethyl-1-piperidin-4-ylpyrrole-2-carboxamide
CID 103101886
N-cyclopropyl-N-(2-methoxyethyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 62715573
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 107479360
N-[(2S)-2-hydroxypropyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 107221129
N-methyl-N-(2-methyloxolan-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 82736657
1-cyclopropyl-N-[2-(dimethylamino)ethyl]-N-ethylpyrrole-2-carboxamide
CID 77088699

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pentan-3-yl-1-piperidin-4-ylpyrrole-2-carboxamide?
The IUPAC name of N-methyl-N-pentan-3-yl-1-piperidin-4-ylpyrrole-2-carboxamide (CID 62717118) is N-methyl-N-pentan-3-yl-1-piperidin-4-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-methyl-N-pentan-3-yl-1-piperidin-4-ylpyrrole-2-carboxamide?
The canonical SMILES for N-methyl-N-pentan-3-yl-1-piperidin-4-ylpyrrole-2-carboxamide is CCC(CC)N(C)C(=O)c1cccn1C1CCNCC1.
What is the InChIKey of N-methyl-N-pentan-3-yl-1-piperidin-4-ylpyrrole-2-carboxamide?
The InChIKey is CCABFLRKRJRUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-13(5-2)18(3)16(20)15-7-6-12-19(15)14-8-10-17-11-9-14/h6-7,12-14,17H,4-5,8-11H2,1-3H3.
What are the key properties of N-methyl-N-pentan-3-yl-1-piperidin-4-ylpyrrole-2-carboxamide?
N-methyl-N-pentan-3-yl-1-piperidin-4-ylpyrrole-2-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pentan-3-yl-1-piperidin-4-ylpyrrole-2-carboxamide is sourced from PubChem (CID 62717118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).