3-methyl-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide

C17H25N3O — CID 63141494

IUPAC3-methyl-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC1(C(=O)Nc2ccccc2N2CCCCC2)CCNC1
InChIInChI=1S/C17H25N3O/c1-17(9-10-18-13-17)16(21)19-14-7-3-4-8-15(14)20-11-5-2-6-12-20/h3-4,7-8,18H,2,5-6,9-13H2,1H3,(H,19,21)
InChIKeyHGFYMTJXEWTQDF-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.62
Rot. Bonds3

About 3-methyl-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide

3-methyl-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 63141494) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-methyl-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID63141494
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name3-methyl-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC1(C(=O)Nc2ccccc2N2CCCCC2)CCNC1
InChIInChI=1S/C17H25N3O/c1-17(9-10-18-13-17)16(21)19-14-7-3-4-8-15(14)20-11-5-2-6-12-20/h3-4,7-8,18H,2,5-6,9-13H2,1H3,(H,19,21)
InChIKeyHGFYMTJXEWTQDF-UHFFFAOYSA-N
XLogP2.62
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670460
N-(2-bromophenyl)-3-methylpyrrolidine-3-carboxamide
CID 63141111
3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 63139606
3-methyl-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 63141010
2-chloro-6-[(3-methylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63723107
2-methyl-3-[(3-methylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63139755
1-amino-N-(2-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide
CID 81179461
N-(2-imidazol-1-ylphenyl)-3-methylpiperidine-3-carboxamide
CID 63129946
3-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 63132643
3-methyl-1-[(2-piperidin-1-ylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122073838
3-amino-N-(2-piperidin-1-ylphenyl)oxolane-3-carboxamide
CID 64894020
N-(2-piperidin-1-ylphenyl)propanamide
CID 960826

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-methyl-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide (CID 63141494) is 3-methyl-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide is CC1(C(=O)Nc2ccccc2N2CCCCC2)CCNC1.
What is the InChIKey of 3-methyl-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is HGFYMTJXEWTQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-17(9-10-18-13-17)16(21)19-14-7-3-4-8-15(14)20-11-5-2-6-12-20/h3-4,7-8,18H,2,5-6,9-13H2,1H3,(H,19,21).
What are the key properties of 3-methyl-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide?
3-methyl-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63141494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).