[(3R)-3-methyl-3-phenylpiperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone

C20H25N3O — CID 97127397

IUPAC[(3R)-3-methyl-3-phenylpiperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone
SMILESC[C@]1(c2ccccc2)CCCN(C(=O)C2(Cn3cccn3)CC2)C1
InChIInChI=1S/C20H25N3O/c1-19(17-7-3-2-4-8-17)9-5-13-22(15-19)18(24)20(10-11-20)16-23-14-6-12-21-23/h2-4,6-8,12,14H,5,9-11,13,15-16H2,1H3/t19-/m0/s1
InChIKeyWBTOFHKYFWAAPM-IBGZPJMESA-N
MW323.44 g/mol
LogP3.24
Rot. Bonds4

About [(3R)-3-methyl-3-phenylpiperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone

[(3R)-3-methyl-3-phenylpiperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone (PubChem CID 97127397) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is [(3R)-3-methyl-3-phenylpiperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[(3R)-3-methyl-3-phenylpiperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone
PubChem CID97127397
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name[(3R)-3-methyl-3-phenylpiperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone
SMILESC[C@]1(c2ccccc2)CCCN(C(=O)C2(Cn3cccn3)CC2)C1
InChIInChI=1S/C20H25N3O/c1-19(17-7-3-2-4-8-17)9-5-13-22(15-19)18(24)20(10-11-20)16-23-14-6-12-21-23/h2-4,6-8,12,14H,5,9-11,13,15-16H2,1H3/t19-/m0/s1
InChIKeyWBTOFHKYFWAAPM-IBGZPJMESA-N
XLogP3.24
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3R)-3-methyl-3-phenylpiperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone with MolForge

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Related Compounds

(3-methyl-3-phenylpiperidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120932921
1-ethyl-4-(3-methyl-3-phenylpiperidine-1-carbonyl)pyridin-2-one
CID 72931976
[2-[(3S)-3-methyl-3-phenylpiperidin-1-yl]-2-oxoethyl]urea
CID 97141328
4-ethyl-2-methyl-5-[1-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperidin-4-yl]-1,2,4-triazol-3-one
CID 56741717
3-methyl-1-(2-pyrazol-1-ylacetyl)piperidine-3-carboxylic acid
CID 55165297
(1,2-dimethylpyrrol-3-yl)-(3-methyl-3-phenylpiperidin-1-yl)methanone
CID 72938900
7-amino-1-(3-methyl-3-phenylpiperidin-1-yl)heptan-1-one
CID 119786941
1-(4-methylphenyl)-4-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperazin-2-one
CID 70739627
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone
CID 97285272
1-[3-(3-methyl-3-phenylpiperidin-1-yl)-3-oxopropyl]pyrimidine-2,4-dione
CID 72871274
2-methyl-3-(methylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride
CID 119786972
(1-methylimidazol-4-yl)-[(3R)-3-methyl-3-phenylpiperidin-1-yl]methanone
CID 124614411

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-methyl-3-phenylpiperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone?
The IUPAC name of [(3R)-3-methyl-3-phenylpiperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone (CID 97127397) is [(3R)-3-methyl-3-phenylpiperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone.
What is the SMILES notation for [(3R)-3-methyl-3-phenylpiperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone?
The canonical SMILES for [(3R)-3-methyl-3-phenylpiperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone is C[C@]1(c2ccccc2)CCCN(C(=O)C2(Cn3cccn3)CC2)C1.
What is the InChIKey of [(3R)-3-methyl-3-phenylpiperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone?
The InChIKey is WBTOFHKYFWAAPM-IBGZPJMESA-N. The full InChI is InChI=1S/C20H25N3O/c1-19(17-7-3-2-4-8-17)9-5-13-22(15-19)18(24)20(10-11-20)16-23-14-6-12-21-23/h2-4,6-8,12,14H,5,9-11,13,15-16H2,1H3/t19-/m0/s1.
What are the key properties of [(3R)-3-methyl-3-phenylpiperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone?
[(3R)-3-methyl-3-phenylpiperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone has a molecular weight of 323.44 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-methyl-3-phenylpiperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone is sourced from PubChem (CID 97127397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).