[(2S)-1-(3,5-dimethylimidazole-4-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone

C16H24N4O2 — CID 118769671

IUPAC[(2S)-1-(3,5-dimethylimidazole-4-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone
SMILESCc1ncn(C)c1C(=O)N1CCC[C@H]1C(=O)N1CCCCC1
InChIInChI=1S/C16H24N4O2/c1-12-14(18(2)11-17-12)16(22)20-10-6-7-13(20)15(21)19-8-4-3-5-9-19/h11,13H,3-10H2,1-2H3/t13-/m0/s1
InChIKeyUJYXUZZEXZABFM-ZDUSSCGKSA-N
MW304.39 g/mol
LogP1.35
Rot. Bonds2

About [(2S)-1-(3,5-dimethylimidazole-4-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone

[(2S)-1-(3,5-dimethylimidazole-4-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone (PubChem CID 118769671) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is [(2S)-1-(3,5-dimethylimidazole-4-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(2S)-1-(3,5-dimethylimidazole-4-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone
PubChem CID118769671
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name[(2S)-1-(3,5-dimethylimidazole-4-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone
SMILESCc1ncn(C)c1C(=O)N1CCC[C@H]1C(=O)N1CCCCC1
InChIInChI=1S/C16H24N4O2/c1-12-14(18(2)11-17-12)16(22)20-10-6-7-13(20)15(21)19-8-4-3-5-9-19/h11,13H,3-10H2,1-2H3/t13-/m0/s1
InChIKeyUJYXUZZEXZABFM-ZDUSSCGKSA-N
XLogP1.35
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

piperidin-1-yl-[(2S)-1-(1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]methanone
CID 118766603
[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 61175131
azepan-1-yl-(1-methylpyrrolidin-2-yl)methanone
CID 110856335
[1-(2,5-dimethylfuran-3-carbonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 42779978
N-[(3S)-1-benzoylpiperidin-3-yl]-3,5-dimethylimidazole-4-carboxamide
CID 125166283
1-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 53015946
1-[(2R)-2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 94582616
(3,5-dimethylimidazol-4-yl)-[(2R)-2-ethylmorpholin-4-yl]methanone
CID 100685892
methyl (2R)-2-(piperidine-1-carbonyl)piperidine-1-carboxylate
CID 44550100
2-bromo-1-[2-(piperidine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 102537702
tert-butyl (2S)-2-(azepane-1-carbonyl)pyrrolidine-1-carboxylate
CID 10469863
[(2S)-1-(2-methylbenzoyl)pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 110285877

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(3,5-dimethylimidazole-4-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [(2S)-1-(3,5-dimethylimidazole-4-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone (CID 118769671) is [(2S)-1-(3,5-dimethylimidazole-4-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(2S)-1-(3,5-dimethylimidazole-4-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [(2S)-1-(3,5-dimethylimidazole-4-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone is Cc1ncn(C)c1C(=O)N1CCC[C@H]1C(=O)N1CCCCC1.
What is the InChIKey of [(2S)-1-(3,5-dimethylimidazole-4-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is UJYXUZZEXZABFM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12-14(18(2)11-17-12)16(22)20-10-6-7-13(20)15(21)19-8-4-3-5-9-19/h11,13H,3-10H2,1-2H3/t13-/m0/s1.
What are the key properties of [(2S)-1-(3,5-dimethylimidazole-4-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone?
[(2S)-1-(3,5-dimethylimidazole-4-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 304.39 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(3,5-dimethylimidazole-4-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 118769671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).