N-(2-imidazol-1-ylethyl)-3-propylpiperidine-3-carboxamide

C14H24N4O — CID 63135088

IUPACN-(2-imidazol-1-ylethyl)-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)NCCn2ccnc2)CCCNC1
InChIInChI=1S/C14H24N4O/c1-2-4-14(5-3-6-15-11-14)13(19)17-8-10-18-9-7-16-12-18/h7,9,12,15H,2-6,8,10-11H2,1H3,(H,17,19)
InChIKeyNMTJVZKGTXBUEK-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.17
Rot. Bonds6

About N-(2-imidazol-1-ylethyl)-3-propylpiperidine-3-carboxamide

N-(2-imidazol-1-ylethyl)-3-propylpiperidine-3-carboxamide (PubChem CID 63135088) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-3-propylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-3-propylpiperidine-3-carboxamide
PubChem CID63135088
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-(2-imidazol-1-ylethyl)-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)NCCn2ccnc2)CCCNC1
InChIInChI=1S/C14H24N4O/c1-2-4-14(5-3-6-15-11-14)13(19)17-8-10-18-9-7-16-12-18/h7,9,12,15H,2-6,8,10-11H2,1H3,(H,17,19)
InChIKeyNMTJVZKGTXBUEK-UHFFFAOYSA-N
XLogP1.17
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-propyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 55179348
1-(aminomethyl)-N-(2-imidazol-1-ylethyl)cyclopropane-1-carboxamide
CID 80588119
N-(2-imidazol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710927
N-[2-(dimethylcarbamoylamino)ethyl]-3-propylpiperidine-3-carboxamide
CID 83109256
N-(3-hydroxybutyl)-3-propylpiperidine-3-carboxamide
CID 64913722
N-(4-aminobutyl)-3-propylpiperidine-3-carboxamide
CID 63135295
4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
CID 63132002
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-propylpiperidine-3-carboxamide
CID 115990066
1-cyano-N-(2-imidazol-1-ylethyl)cyclopentane-1-carboxamide
CID 60717326
N-[(1-methylpyrrol-3-yl)methyl]-3-propylpiperidine-3-carboxamide
CID 106390774
N-[(1-methylpyrrol-2-yl)methyl]-3-propylpiperidine-3-carboxamide
CID 106416484
(2S)-2-hydroxy-4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
CID 107836459

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-3-propylpiperidine-3-carboxamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-3-propylpiperidine-3-carboxamide (CID 63135088) is N-(2-imidazol-1-ylethyl)-3-propylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-3-propylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-3-propylpiperidine-3-carboxamide is CCCC1(C(=O)NCCn2ccnc2)CCCNC1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-3-propylpiperidine-3-carboxamide?
The InChIKey is NMTJVZKGTXBUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-2-4-14(5-3-6-15-11-14)13(19)17-8-10-18-9-7-16-12-18/h7,9,12,15H,2-6,8,10-11H2,1H3,(H,17,19).
What are the key properties of N-(2-imidazol-1-ylethyl)-3-propylpiperidine-3-carboxamide?
N-(2-imidazol-1-ylethyl)-3-propylpiperidine-3-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-3-propylpiperidine-3-carboxamide is sourced from PubChem (CID 63135088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).