1-[(2R)-2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone

C17H26N4O2 — CID 95340544

IUPAC1-[(2R)-2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](n2nc(C)cc2C)C1
InChIInChI=1S/C17H26N4O2/c1-12-10-13(2)21(18-12)15-6-4-8-19(11-15)17(23)16-7-5-9-20(16)14(3)22/h10,15-16H,4-9,11H2,1-3H3/t15-,16+/m0/s1
InChIKeyUMFMQXQEORFMSY-JKSUJKDBSA-N
MW318.42 g/mol
LogP1.67
Rot. Bonds2

About 1-[(2R)-2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone

1-[(2R)-2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone (PubChem CID 95340544) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-[(2R)-2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
PubChem CID95340544
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name1-[(2R)-2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](n2nc(C)cc2C)C1
InChIInChI=1S/C17H26N4O2/c1-12-10-13(2)21(18-12)15-6-4-8-19(11-15)17(23)16-7-5-9-20(16)14(3)22/h10,15-16H,4-9,11H2,1-3H3/t15-,16+/m0/s1
InChIKeyUMFMQXQEORFMSY-JKSUJKDBSA-N
XLogP1.67
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2R)-2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2S)-2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 95340542
1-[(4S)-4-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone
CID 95290454
[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 95354154
[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 95346427
1-[(3S)-3-[4-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]-4-methylpiperazin-1-yl]ethanone
CID 95827559
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95348926
[(2R)-2,3-dihydro-1-benzothiophen-2-yl]-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95286595
(3R)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidine-1-carboxamide
CID 97122457
1-[(2S)-2-[(3S)-3-(2-ethylimidazol-1-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 95606561
1-[(2S)-2-[(3R)-3-(2-ethylimidazol-1-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 95606560
[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 95978646
[6-(cyclopropylamino)-3-pyridinyl]-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95344948

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone (CID 95340544) is 1-[(2R)-2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](n2nc(C)cc2C)C1.
What is the InChIKey of 1-[(2R)-2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone?
The InChIKey is UMFMQXQEORFMSY-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-12-10-13(2)21(18-12)15-6-4-8-19(11-15)17(23)16-7-5-9-20(16)14(3)22/h10,15-16H,4-9,11H2,1-3H3/t15-,16+/m0/s1.
What are the key properties of 1-[(2R)-2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone?
1-[(2R)-2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone has a molecular weight of 318.42 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95340544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).