1-(imidazole-1-carbonyl)-N,N-dipropylpiperidine-3-carboxamide

C16H26N4O2 — CID 70336627

IUPAC1-(imidazole-1-carbonyl)-N,N-dipropylpiperidine-3-carboxamide
SMILESCCCN(CCC)C(=O)C1CCCN(C(=O)n2ccnc2)C1
InChIInChI=1S/C16H26N4O2/c1-3-8-18(9-4-2)15(21)14-6-5-10-19(12-14)16(22)20-11-7-17-13-20/h7,11,13-14H,3-6,8-10,12H2,1-2H3
InChIKeyVZAZVXAEWXRZOA-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.21
Rot. Bonds5

About 1-(imidazole-1-carbonyl)-N,N-dipropylpiperidine-3-carboxamide

1-(imidazole-1-carbonyl)-N,N-dipropylpiperidine-3-carboxamide (PubChem CID 70336627) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-(imidazole-1-carbonyl)-N,N-dipropylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(imidazole-1-carbonyl)-N,N-dipropylpiperidine-3-carboxamide
PubChem CID70336627
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-(imidazole-1-carbonyl)-N,N-dipropylpiperidine-3-carboxamide
SMILESCCCN(CCC)C(=O)C1CCCN(C(=O)n2ccnc2)C1
InChIInChI=1S/C16H26N4O2/c1-3-8-18(9-4-2)15(21)14-6-5-10-19(12-14)16(22)20-11-7-17-13-20/h7,11,13-14H,3-6,8-10,12H2,1-2H3
InChIKeyVZAZVXAEWXRZOA-UHFFFAOYSA-N
XLogP2.21
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-1-(imidazole-1-carbonyl)piperidine-3-carboxamide
CID 141127866
2-[[1-(diethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 75383592
(3S)-1-N-[4-[[(3S)-3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]phenyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 40620948
2-[(1-carbamoylpiperidine-3-carbonyl)-propylamino]acetic acid
CID 61007347
(3S)-1-N-decyl-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 70998444
N-[1-(imidazole-1-carbonyl)piperidin-3-yl]methanesulfonamide
CID 113225834
2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 61013155
2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 119205313
1-(2-methylfuran-3-carbonyl)-N,N-dipropylpiperidine-3-carboxamide
CID 42780033
(3R)-1-(dipropylcarbamoyl)piperidine-3-carboxylic acid
CID 28512445
N,N-diethyl-1-(2H-triazole-4-carbonyl)piperidine-3-carboxamide
CID 74232620
1-N-(4-chlorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 3697126

Frequently Asked Questions

What is the IUPAC name of 1-(imidazole-1-carbonyl)-N,N-dipropylpiperidine-3-carboxamide?
The IUPAC name of 1-(imidazole-1-carbonyl)-N,N-dipropylpiperidine-3-carboxamide (CID 70336627) is 1-(imidazole-1-carbonyl)-N,N-dipropylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(imidazole-1-carbonyl)-N,N-dipropylpiperidine-3-carboxamide?
The canonical SMILES for 1-(imidazole-1-carbonyl)-N,N-dipropylpiperidine-3-carboxamide is CCCN(CCC)C(=O)C1CCCN(C(=O)n2ccnc2)C1.
What is the InChIKey of 1-(imidazole-1-carbonyl)-N,N-dipropylpiperidine-3-carboxamide?
The InChIKey is VZAZVXAEWXRZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-3-8-18(9-4-2)15(21)14-6-5-10-19(12-14)16(22)20-11-7-17-13-20/h7,11,13-14H,3-6,8-10,12H2,1-2H3.
What are the key properties of 1-(imidazole-1-carbonyl)-N,N-dipropylpiperidine-3-carboxamide?
1-(imidazole-1-carbonyl)-N,N-dipropylpiperidine-3-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(imidazole-1-carbonyl)-N,N-dipropylpiperidine-3-carboxamide is sourced from PubChem (CID 70336627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).