N,N-diethyl-1-(imidazole-1-carbonyl)piperidine-3-carboxamide

C14H22N4O2 — CID 141127866

IUPACN,N-diethyl-1-(imidazole-1-carbonyl)piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(C(=O)n2ccnc2)C1
InChIInChI=1S/C14H22N4O2/c1-3-16(4-2)13(19)12-6-5-8-17(10-12)14(20)18-9-7-15-11-18/h7,9,11-12H,3-6,8,10H2,1-2H3
InChIKeyQDVLOULCHHUFTG-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.43
Rot. Bonds3

About N,N-diethyl-1-(imidazole-1-carbonyl)piperidine-3-carboxamide

N,N-diethyl-1-(imidazole-1-carbonyl)piperidine-3-carboxamide (PubChem CID 141127866) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N,N-diethyl-1-(imidazole-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-(imidazole-1-carbonyl)piperidine-3-carboxamide
PubChem CID141127866
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN,N-diethyl-1-(imidazole-1-carbonyl)piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(C(=O)n2ccnc2)C1
InChIInChI=1S/C14H22N4O2/c1-3-16(4-2)13(19)12-6-5-8-17(10-12)14(20)18-9-7-15-11-18/h7,9,11-12H,3-6,8,10H2,1-2H3
InChIKeyQDVLOULCHHUFTG-UHFFFAOYSA-N
XLogP1.43
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(imidazole-1-carbonyl)-N,N-dipropylpiperidine-3-carboxamide
CID 70336627
(3S)-1-N-[4-[[(3S)-3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]phenyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 40620948
N-[1-(imidazole-1-carbonyl)piperidin-3-yl]methanesulfonamide
CID 113225834
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(imidazol-1-yl)methanone
CID 81258043
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
(3R)-N,N-diethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 26457997
(3S)-1-N-decyl-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 70998444
1-[4-(2,6-dichlorophenyl)-5-oxotetrazole-1-carbonyl]-N,N-diethylpiperidine-3-carboxamide
CID 58502065
1-N-[3-[[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]phenyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 3574463
1-(cyclopropanecarbonyl)-N-(cyclopropylmethyl)-N-ethylpiperidine-3-carboxamide
CID 71931628
(3S)-N,N-diethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 94028091

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(imidazole-1-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N,N-diethyl-1-(imidazole-1-carbonyl)piperidine-3-carboxamide (CID 141127866) is N,N-diethyl-1-(imidazole-1-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-1-(imidazole-1-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N,N-diethyl-1-(imidazole-1-carbonyl)piperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(C(=O)n2ccnc2)C1.
What is the InChIKey of N,N-diethyl-1-(imidazole-1-carbonyl)piperidine-3-carboxamide?
The InChIKey is QDVLOULCHHUFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-16(4-2)13(19)12-6-5-8-17(10-12)14(20)18-9-7-15-11-18/h7,9,11-12H,3-6,8,10H2,1-2H3.
What are the key properties of N,N-diethyl-1-(imidazole-1-carbonyl)piperidine-3-carboxamide?
N,N-diethyl-1-(imidazole-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(imidazole-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 141127866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).