2-[(1S)-cyclopent-2-en-1-yl]-1-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]ethanone

C19H30N4O — CID 92624514

IUPAC2-[(1S)-cyclopent-2-en-1-yl]-1-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]ethanone
SMILESCN(C)Cc1cc(C2CCN(C(=O)C[C@H]3C=CCC3)CC2)nn1C
InChIInChI=1S/C19H30N4O/c1-21(2)14-17-13-18(20-22(17)3)16-8-10-23(11-9-16)19(24)12-15-6-4-5-7-15/h4,6,13,15-16H,5,7-12,14H2,1-3H3/t15-/m0/s1
InChIKeyIMNBFDDDBUODTR-HNNXBMFYSA-N
MW330.48 g/mol
LogP2.54
Rot. Bonds5

About 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]ethanone

2-[(1S)-cyclopent-2-en-1-yl]-1-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]ethanone (PubChem CID 92624514) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(1S)-cyclopent-2-en-1-yl]-1-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]ethanone
PubChem CID92624514
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name2-[(1S)-cyclopent-2-en-1-yl]-1-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]ethanone
SMILESCN(C)Cc1cc(C2CCN(C(=O)C[C@H]3C=CCC3)CC2)nn1C
InChIInChI=1S/C19H30N4O/c1-21(2)14-17-13-18(20-22(17)3)16-8-10-23(11-9-16)19(24)12-15-6-4-5-7-15/h4,6,13,15-16H,5,7-12,14H2,1-3H3/t15-/m0/s1
InChIKeyIMNBFDDDBUODTR-HNNXBMFYSA-N
XLogP2.54
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-3-(4-ethoxyphenyl)propan-1-one
CID 92624487
[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-piperidin-3-ylmethanone
CID 110259661
[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 92624522
[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-(1-phenylcyclopentyl)methanone
CID 110092580
1-tert-butyl-4-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 110092565
1-[4-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone
CID 92617091
2-cyclopent-2-en-1-yl-1-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 131945624
2-cyclopent-2-en-1-yl-1-[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110264179
2-cyclopent-2-en-1-yl-1-[3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]ethanone
CID 110242153
N-[[3-[1-[2-(2-ethylimidazol-1-yl)acetyl]piperidin-4-yl]-1-methylpyrazol-5-yl]methyl]-N-methylacetamide
CID 110092567
N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-2-[(2R)-oxolan-2-yl]acetamide
CID 98129348
1-[2-[2-[(3S)-3-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one
CID 95830293

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]ethanone (CID 92624514) is 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]ethanone is CN(C)Cc1cc(C2CCN(C(=O)C[C@H]3C=CCC3)CC2)nn1C.
What is the InChIKey of 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]ethanone?
The InChIKey is IMNBFDDDBUODTR-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-21(2)14-17-13-18(20-22(17)3)16-8-10-23(11-9-16)19(24)12-15-6-4-5-7-15/h4,6,13,15-16H,5,7-12,14H2,1-3H3/t15-/m0/s1.
What are the key properties of 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]ethanone?
2-[(1S)-cyclopent-2-en-1-yl]-1-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]ethanone has a molecular weight of 330.48 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 92624514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).