4-methyl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide

C17H25N3O — CID 63122188

IUPAC4-methyl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
SMILESCC1(C(=O)Nc2cccc(N3CCCC3)c2)CCNCC1
InChIInChI=1S/C17H25N3O/c1-17(7-9-18-10-8-17)16(21)19-14-5-4-6-15(13-14)20-11-2-3-12-20/h4-6,13,18H,2-3,7-12H2,1H3,(H,19,21)
InChIKeyUMJBXVYUKMQLGE-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.62
Rot. Bonds3

About 4-methyl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide

4-methyl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide (PubChem CID 63122188) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-methyl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
PubChem CID63122188
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name4-methyl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
SMILESCC1(C(=O)Nc2cccc(N3CCCC3)c2)CCNCC1
InChIInChI=1S/C17H25N3O/c1-17(7-9-18-10-8-17)16(21)19-14-5-4-6-15(13-14)20-11-2-3-12-20/h4-6,13,18H,2-3,7-12H2,1H3,(H,19,21)
InChIKeyUMJBXVYUKMQLGE-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

4-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 120939642
N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 60928576
1-amino-N-(3-pyrrolidin-1-ylphenyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119857471
4-methyl-N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 63122404
4-(methoxymethyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]piperidine-4-carboxamide;dihydrochloride
CID 120645940
4-methoxy-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]piperidine-4-carboxamide
CID 119872921
N-(3-piperidin-1-ylphenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxamide
CID 143373876
methyl N-(3-piperidin-1-ylphenyl)carbamate
CID 110362130
2-piperidin-4-yl-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 61030185
N-[3-(4-fluorophenoxy)phenyl]-4-methylpiperidine-4-carboxamide
CID 67036908
4-(aminomethyl)-N-(3-pyrrolidin-1-ylphenyl)oxane-4-carboxamide;dihydrochloride
CID 120939637
2-methyl-N-(3-piperidin-1-ylphenyl)propanamide
CID 47379438

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 4-methyl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide (CID 63122188) is 4-methyl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-methyl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 4-methyl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide is CC1(C(=O)Nc2cccc(N3CCCC3)c2)CCNCC1.
What is the InChIKey of 4-methyl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide?
The InChIKey is UMJBXVYUKMQLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-17(7-9-18-10-8-17)16(21)19-14-5-4-6-15(13-14)20-11-2-3-12-20/h4-6,13,18H,2-3,7-12H2,1H3,(H,19,21).
What are the key properties of 4-methyl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide?
4-methyl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-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 4-methyl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 63122188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).