N-(cyclopropylmethyl)-1-[2-methyl-2-(4-methylimidazol-1-yl)propanoyl]piperidine-3-carboxamide

C18H28N4O2 — CID 127267373

IUPACN-(cyclopropylmethyl)-1-[2-methyl-2-(4-methylimidazol-1-yl)propanoyl]piperidine-3-carboxamide
SMILESCc1cn(C(C)(C)C(=O)N2CCCC(C(=O)NCC3CC3)C2)cn1
InChIInChI=1S/C18H28N4O2/c1-13-10-22(12-20-13)18(2,3)17(24)21-8-4-5-15(11-21)16(23)19-9-14-6-7-14/h10,12,14-15H,4-9,11H2,1-3H3,(H,19,23)
InChIKeyXIZNWJNWIXPYMR-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.69
Rot. Bonds5

About N-(cyclopropylmethyl)-1-[2-methyl-2-(4-methylimidazol-1-yl)propanoyl]piperidine-3-carboxamide

N-(cyclopropylmethyl)-1-[2-methyl-2-(4-methylimidazol-1-yl)propanoyl]piperidine-3-carboxamide (PubChem CID 127267373) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[2-methyl-2-(4-methylimidazol-1-yl)propanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[2-methyl-2-(4-methylimidazol-1-yl)propanoyl]piperidine-3-carboxamide
PubChem CID127267373
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-(cyclopropylmethyl)-1-[2-methyl-2-(4-methylimidazol-1-yl)propanoyl]piperidine-3-carboxamide
SMILESCc1cn(C(C)(C)C(=O)N2CCCC(C(=O)NCC3CC3)C2)cn1
InChIInChI=1S/C18H28N4O2/c1-13-10-22(12-20-13)18(2,3)17(24)21-8-4-5-15(11-21)16(23)19-9-14-6-7-14/h10,12,14-15H,4-9,11H2,1-3H3,(H,19,23)
InChIKeyXIZNWJNWIXPYMR-UHFFFAOYSA-N
XLogP1.69
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-1-[5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperidine-3-carboxamide
CID 139006709
N-(cyclopropylmethyl)-1-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide
CID 78882073
1-(2,2-dimethylpropanoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide
CID 120946337
N-(cyclopropylmethyl)-1-[2-(methylamino)acetyl]piperidine-3-carboxamide;hydrochloride
CID 119724080
(3S)-N-(cyclopropylmethyl)-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 96566817
N-(cyclopropylmethyl)-1-[2-(4-fluorophenyl)-2-methylpropanoyl]azetidine-3-carboxamide
CID 92634041
N-(cyclopropylmethyl)-1-(4-fluoro-1H-benzimidazole-5-carbonyl)piperidine-3-carboxamide
CID 126831173
(3R)-N-(cyclopropylmethyl)-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxamide
CID 94182054
N-(cyclopropylmethyl)-1-(pyrrolidine-2-carbonyl)piperidine-3-carboxamide
CID 119289774
N-(cyclopropylmethyl)-1-pent-2-enoylpiperidine-3-carboxamide
CID 126804577
N-(cyclopropylmethyl)-1-[2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetyl]piperidine-3-carboxamide
CID 55845837
(3R)-N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 92728997

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[2-methyl-2-(4-methylimidazol-1-yl)propanoyl]piperidine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-[2-methyl-2-(4-methylimidazol-1-yl)propanoyl]piperidine-3-carboxamide (CID 127267373) is N-(cyclopropylmethyl)-1-[2-methyl-2-(4-methylimidazol-1-yl)propanoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[2-methyl-2-(4-methylimidazol-1-yl)propanoyl]piperidine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-[2-methyl-2-(4-methylimidazol-1-yl)propanoyl]piperidine-3-carboxamide is Cc1cn(C(C)(C)C(=O)N2CCCC(C(=O)NCC3CC3)C2)cn1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[2-methyl-2-(4-methylimidazol-1-yl)propanoyl]piperidine-3-carboxamide?
The InChIKey is XIZNWJNWIXPYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-13-10-22(12-20-13)18(2,3)17(24)21-8-4-5-15(11-21)16(23)19-9-14-6-7-14/h10,12,14-15H,4-9,11H2,1-3H3,(H,19,23).
What are the key properties of N-(cyclopropylmethyl)-1-[2-methyl-2-(4-methylimidazol-1-yl)propanoyl]piperidine-3-carboxamide?
N-(cyclopropylmethyl)-1-[2-methyl-2-(4-methylimidazol-1-yl)propanoyl]piperidine-3-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[2-methyl-2-(4-methylimidazol-1-yl)propanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 127267373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).