[(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

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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).