cis-(1R,2S)-N-[(1-methylimidazol-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxamide

C16H24N4O2 — CID 136587695

IUPACcis-(1R,2S)-N-[(1-methylimidazol-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxamide
SMILESCn1cnc(CNC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)c1
InChIInChI=1S/C16H24N4O2/c1-19-10-12(18-11-19)9-17-16(22)13-5-2-3-6-14(13)20-8-4-7-15(20)21/h10-11,13-14H,2-9H2,1H3,(H,17,22)/t13-,14+/m1/s1
InChIKeyYTCWCAZYXGQTGA-KGLIPLIRSA-N
MW304.39 g/mol
LogP1.22
Rot. Bonds4

About cis-(1R,2S)-N-[(1-methylimidazol-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxamide

cis-(1R,2S)-N-[(1-methylimidazol-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxamide (PubChem CID 136587695) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is cis-(1R,2S)-N-[(1-methylimidazol-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-[(1-methylimidazol-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxamide
PubChem CID136587695
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Namecis-(1R,2S)-N-[(1-methylimidazol-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxamide
SMILESCn1cnc(CNC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)c1
InChIInChI=1S/C16H24N4O2/c1-19-10-12(18-11-19)9-17-16(22)13-5-2-3-6-14(13)20-8-4-7-15(20)21/h10-11,13-14H,2-9H2,1H3,(H,17,22)/t13-,14+/m1/s1
InChIKeyYTCWCAZYXGQTGA-KGLIPLIRSA-N
XLogP1.22
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[(2R)-2-amino-3-cyclohexylpropanoyl]-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2-carboxamide
CID 44326378
2-cyclopentyl-N-[rel-(3R,4S)-4-cyclopropyl-1-(1H-imidazol-4-ylmethyl)-3-pyrrolidinyl]acetamide dihydrochloride
CID 72838211
1-(methoxymethyl)-N-{rel-(3R,4S)-1-[(1-methyl-1H-imidazol-5-yl)methyl]-4-propyl-3-pyrrolidinyl}cyclobutanecarboxamide dihydrochloride
CID 72882319
2-[(3-Cyclopentylimidazol-4-yl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 72889268
2-[(3-Cyclohexylimidazol-4-yl)methyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 72933218
2-cyclobutyl-N-[rel-(3R,4S)-1-(1H-imidazol-4-ylmethyl)-4-isopropyl-3-pyrrolidinyl]acetamide dihydrochloride
CID 72935029
2-[(3-Cyclohexylimidazol-4-yl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 86286878
3-cyclopentyl-N-[2-(5-methyl-1-propylimidazol-2-yl)ethyl]propanamide
CID 91923969
N-[2-(1-Cyclopropyl-5-methyl-1H-imidazol-2-YL)ethyl]cyclopentanecarboxamide
CID 91911659
2-(1-acetyl-4-piperidyl)-N-[2-(1-isopropyl-5-methyl-1H-imidazol-2-yl)ethyl]acetamide
CID 91911725
2-cyclohexyl-N-{2-[1-(cyclopropylmethyl)-5-methyl-1H-imidazol-2-yl]ethyl}acetamide
CID 91923958
(1S,11R)-2-(1-methylimidazole-4-carbonyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one
CID 110201218

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[(1-methylimidazol-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-[(1-methylimidazol-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxamide (CID 136587695) is cis-(1R,2S)-N-[(1-methylimidazol-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-[(1-methylimidazol-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-[(1-methylimidazol-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxamide is Cn1cnc(CNC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)c1.
What is the InChIKey of cis-(1R,2S)-N-[(1-methylimidazol-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxamide?
The InChIKey is YTCWCAZYXGQTGA-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-19-10-12(18-11-19)9-17-16(22)13-5-2-3-6-14(13)20-8-4-7-15(20)21/h10-11,13-14H,2-9H2,1H3,(H,17,22)/t13-,14+/m1/s1.
What are the key properties of cis-(1R,2S)-N-[(1-methylimidazol-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxamide?
cis-(1R,2S)-N-[(1-methylimidazol-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[(1-methylimidazol-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 136587695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).