cyclopent-3-en-1-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

C14H19N3O — CID 95775037

IUPACcyclopent-3-en-1-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(C1CC=CC1)N1CCC[C@H](c2ccn[nH]2)C1
InChIInChI=1S/C14H19N3O/c18-14(11-4-1-2-5-11)17-9-3-6-12(10-17)13-7-8-15-16-13/h1-2,7-8,11-12H,3-6,9-10H2,(H,15,16)/t12-/m0/s1
InChIKeyZCXMDOXWWNEING-LBPRGKRZSA-N
MW245.33 g/mol
LogP2.08
Rot. Bonds2

About cyclopent-3-en-1-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

cyclopent-3-en-1-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 95775037) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopent-3-en-1-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID95775037
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Namecyclopent-3-en-1-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(C1CC=CC1)N1CCC[C@H](c2ccn[nH]2)C1
InChIInChI=1S/C14H19N3O/c18-14(11-4-1-2-5-11)17-9-3-6-12(10-17)13-7-8-15-16-13/h1-2,7-8,11-12H,3-6,9-10H2,(H,15,16)/t12-/m0/s1
InChIKeyZCXMDOXWWNEING-LBPRGKRZSA-N
XLogP2.08
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 62866717
(4,4-difluorocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110271226
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
[3-(1H-pyrazol-5-yl)piperidin-1-yl]-(2H-triazol-4-yl)methanone
CID 78917987
(2-aminocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 64824388
2,2-difluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 103514888
(4S)-1-(cyclopropylmethyl)-4-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95768714
[(2R)-1,4-dioxan-2-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95768695
[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 95768730
2-methyl-3-oxo-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanoic acid
CID 114897652
[(1S,2R)-2-ethoxycyclopropyl]-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95768641
(2R)-2-amino-3-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one
CID 79012541

Frequently Asked Questions

What is the IUPAC name of cyclopent-3-en-1-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclopent-3-en-1-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 95775037) is cyclopent-3-en-1-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopent-3-en-1-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclopent-3-en-1-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is O=C(C1CC=CC1)N1CCC[C@H](c2ccn[nH]2)C1.
What is the InChIKey of cyclopent-3-en-1-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is ZCXMDOXWWNEING-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N3O/c18-14(11-4-1-2-5-11)17-9-3-6-12(10-17)13-7-8-15-16-13/h1-2,7-8,11-12H,3-6,9-10H2,(H,15,16)/t12-/m0/s1.
What are the key properties of cyclopent-3-en-1-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
cyclopent-3-en-1-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 245.33 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95775037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).