N-[(1-methylpyrrolidin-2-yl)methyl]-4-propylpiperidine-4-carboxamide

C15H29N3O — CID 106026149

IUPACN-[(1-methylpyrrolidin-2-yl)methyl]-4-propylpiperidine-4-carboxamide
SMILESCCCC1(C(=O)NCC2CCCN2C)CCNCC1
InChIInChI=1S/C15H29N3O/c1-3-6-15(7-9-16-10-8-15)14(19)17-12-13-5-4-11-18(13)2/h13,16H,3-12H2,1-2H3,(H,17,19)
InChIKeyNQMAUQPCMWTACT-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.37
Rot. Bonds5

About N-[(1-methylpyrrolidin-2-yl)methyl]-4-propylpiperidine-4-carboxamide

N-[(1-methylpyrrolidin-2-yl)methyl]-4-propylpiperidine-4-carboxamide (PubChem CID 106026149) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-2-yl)methyl]-4-propylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-2-yl)methyl]-4-propylpiperidine-4-carboxamide
PubChem CID106026149
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-[(1-methylpyrrolidin-2-yl)methyl]-4-propylpiperidine-4-carboxamide
SMILESCCCC1(C(=O)NCC2CCCN2C)CCNCC1
InChIInChI=1S/C15H29N3O/c1-3-6-15(7-9-16-10-8-15)14(19)17-12-13-5-4-11-18(13)2/h13,16H,3-12H2,1-2H3,(H,17,19)
InChIKeyNQMAUQPCMWTACT-UHFFFAOYSA-N
XLogP1.37
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylpiperidin-2-yl)methyl]-2-propylpyrrolidine-2-carboxamide
CID 106975036
1-amino-N-[(1-methylpyrrolidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 103814042
N-(2,6-dimethylpiperidin-1-yl)-4-propylpiperidine-4-carboxamide
CID 83022184
N-[(1-methylpyrrolidin-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 110473133
N-(cyanomethyl)-4-propylpiperidine-4-carboxamide
CID 63129150
N-(2-piperazin-1-ylethyl)-1-propylcyclopropane-1-carboxamide;hydrochloride
CID 119448203
N-[[1-(dimethylamino)cyclopentyl]methyl]-4-propylpiperidine-4-carboxamide
CID 83112493
N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-2-carboxamide
CID 103630206
N-[2-[ethyl(methyl)amino]ethyl]-4-propylpiperidine-4-carboxamide
CID 55176449
1-(N'-hydroxycarbamimidoyl)-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutane-1-carboxamide
CID 114137873
N-[2-oxo-2-(propylamino)ethyl]-4-propylpiperidine-4-carboxamide
CID 63127591
N-(2-methylbutyl)-4-propylpiperidine-4-carboxamide
CID 63129494

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrolidin-2-yl)methyl]-4-propylpiperidine-4-carboxamide?
The IUPAC name of N-[(1-methylpyrrolidin-2-yl)methyl]-4-propylpiperidine-4-carboxamide (CID 106026149) is N-[(1-methylpyrrolidin-2-yl)methyl]-4-propylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(1-methylpyrrolidin-2-yl)methyl]-4-propylpiperidine-4-carboxamide?
The canonical SMILES for N-[(1-methylpyrrolidin-2-yl)methyl]-4-propylpiperidine-4-carboxamide is CCCC1(C(=O)NCC2CCCN2C)CCNCC1.
What is the InChIKey of N-[(1-methylpyrrolidin-2-yl)methyl]-4-propylpiperidine-4-carboxamide?
The InChIKey is NQMAUQPCMWTACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-3-6-15(7-9-16-10-8-15)14(19)17-12-13-5-4-11-18(13)2/h13,16H,3-12H2,1-2H3,(H,17,19).
What are the key properties of N-[(1-methylpyrrolidin-2-yl)methyl]-4-propylpiperidine-4-carboxamide?
N-[(1-methylpyrrolidin-2-yl)methyl]-4-propylpiperidine-4-carboxamide has a molecular weight of 267.42 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrolidin-2-yl)methyl]-4-propylpiperidine-4-carboxamide is sourced from PubChem (CID 106026149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).