N-(cyclohexylmethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide

C18H28N4O2 — CID 119074321

IUPACN-(cyclohexylmethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
SMILESCn1ccnc1C(=O)C1CCCN(C(=O)NCC2CCCCC2)C1
InChIInChI=1S/C18H28N4O2/c1-21-11-9-19-17(21)16(23)15-8-5-10-22(13-15)18(24)20-12-14-6-3-2-4-7-14/h9,11,14-15H,2-8,10,12-13H2,1H3,(H,20,24)
InChIKeyBYCMTVWLRRJUIV-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.60
Rot. Bonds4

About N-(cyclohexylmethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide

N-(cyclohexylmethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide (PubChem CID 119074321) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
PubChem CID119074321
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-(cyclohexylmethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
SMILESCn1ccnc1C(=O)C1CCCN(C(=O)NCC2CCCCC2)C1
InChIInChI=1S/C18H28N4O2/c1-21-11-9-19-17(21)16(23)15-8-5-10-22(13-15)18(24)20-12-14-6-3-2-4-7-14/h9,11,14-15H,2-8,10,12-13H2,1H3,(H,20,24)
InChIKeyBYCMTVWLRRJUIV-UHFFFAOYSA-N
XLogP2.60
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 72928554
2-[1-(cyclohexylmethyl)-3-oxo-2-piperazinyl]-N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-propylacetamide
CID 56892678
1-(cyclobutylcarbonyl)-N-[2-(2-ethyl-1H-imidazol-1-yl)ethyl]-4-piperidinecarboxamide
CID 72851366
N-methyl-4-{1-[(1-methyl-1H-imidazol-2-yl)carbonyl]tetrahydro-1H-pyrrol-3-yl}tetrahydro-1(2H)-pyridinecarboxamide
CID 91921373
(1S,11R)-2-(1-methylimidazole-2-carbonyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one
CID 110201241
5-[1-(1-Methyl-1H-imidazole-2-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
CID 110201714
N-{2-[4-(1-ethyl-1H-imidazol-2-yl)-1-piperidinyl]-2-oxoethyl}urea
CID 70751512
N-ethyl-2-[3-(1-ethyl-1H-imidazol-2-yl)-1-piperidinyl]acetamide
CID 70776206
2-[2-(1-isobutyrylpiperidin-3-yl)-1H-imidazol-1-yl]acetamide
CID 72847385
4-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]-N-(cyclohexylmethyl)-1-piperidinecarboxamide
CID 72882718
N-[2-(1H-imidazol-1-yl)ethyl]-3-(1-methyl-3-piperidinyl)propanamide
CID 72891266
2-[4-(1-ethyl-1H-imidazol-2-yl)-1-piperidinyl]-N-methyl-2-oxoethanamine
CID 72915950

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide (CID 119074321) is N-(cyclohexylmethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide is Cn1ccnc1C(=O)C1CCCN(C(=O)NCC2CCCCC2)C1.
What is the InChIKey of N-(cyclohexylmethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide?
The InChIKey is BYCMTVWLRRJUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-21-11-9-19-17(21)16(23)15-8-5-10-22(13-15)18(24)20-12-14-6-3-2-4-7-14/h9,11,14-15H,2-8,10,12-13H2,1H3,(H,20,24).
What are the key properties of N-(cyclohexylmethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide?
N-(cyclohexylmethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide is sourced from PubChem (CID 119074321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).