phenyl-(2-phenylpiperidin-1-yl)methanone;N-propan-2-ylformamide

C22H28N2O2 — CID 167491595

IUPACphenyl-(2-phenylpiperidin-1-yl)methanone;N-propan-2-ylformamide
SMILESCC(C)NC=O.O=C(c1ccccc1)N1CCCCC1c1ccccc1
InChIInChI=1S/C18H19NO.C4H9NO/c20-18(16-11-5-2-6-12-16)19-14-8-7-13-17(19)15-9-3-1-4-10-15;1-4(2)5-3-6/h1-6,9-12,17H,7-8,13-14H2;3-4H,1-2H3,(H,5,6)
InChIKeyXBUSRPYMANVKEC-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.19
Rot. Bonds4

About phenyl-(2-phenylpiperidin-1-yl)methanone;N-propan-2-ylformamide

phenyl-(2-phenylpiperidin-1-yl)methanone;N-propan-2-ylformamide (PubChem CID 167491595) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is phenyl-(2-phenylpiperidin-1-yl)methanone;N-propan-2-ylformamide.

Molecular Properties

Compound Namephenyl-(2-phenylpiperidin-1-yl)methanone;N-propan-2-ylformamide
PubChem CID167491595
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Namephenyl-(2-phenylpiperidin-1-yl)methanone;N-propan-2-ylformamide
SMILESCC(C)NC=O.O=C(c1ccccc1)N1CCCCC1c1ccccc1
InChIInChI=1S/C18H19NO.C4H9NO/c20-18(16-11-5-2-6-12-16)19-14-8-7-13-17(19)15-9-3-1-4-10-15;1-4(2)5-3-6/h1-6,9-12,17H,7-8,13-14H2;3-4H,1-2H3,(H,5,6)
InChIKeyXBUSRPYMANVKEC-UHFFFAOYSA-N
XLogP4.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-phenylformamide;phenyl-[2-(4-propan-2-ylphenyl)piperidin-1-yl]methanone
CID 177369511
(4-aminophenyl)-(2-phenylazepan-1-yl)methanone;hydrochloride
CID 119737788
(2S)-2-amino-N-[4-(2-phenylpyrrolidine-1-carbonyl)phenyl]propanamide
CID 119313132
[2-(furan-3-yl)piperidin-1-yl]-phenylmethanone
CID 102544350
(2-phenylpiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 119033998
cyclohexyl-(2-phenylpiperidin-1-yl)methanone
CID 161290286
[(2R)-2-phenylpyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 41265479
(3-bromophenyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone
CID 41264423
[2-[6-(cyclopropylamino)-3-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 102540373
2-[5-(2-phenylpiperidine-1-carbonyl)pyrazol-1-yl]acetic acid
CID 19482706
(2-hydroxypiperidin-1-yl)-phenylmethanone
CID 14920288
phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 60770024

Frequently Asked Questions

What is the IUPAC name of phenyl-(2-phenylpiperidin-1-yl)methanone;N-propan-2-ylformamide?
The IUPAC name of phenyl-(2-phenylpiperidin-1-yl)methanone;N-propan-2-ylformamide (CID 167491595) is phenyl-(2-phenylpiperidin-1-yl)methanone;N-propan-2-ylformamide.
What is the SMILES notation for phenyl-(2-phenylpiperidin-1-yl)methanone;N-propan-2-ylformamide?
The canonical SMILES for phenyl-(2-phenylpiperidin-1-yl)methanone;N-propan-2-ylformamide is CC(C)NC=O.O=C(c1ccccc1)N1CCCCC1c1ccccc1.
What is the InChIKey of phenyl-(2-phenylpiperidin-1-yl)methanone;N-propan-2-ylformamide?
The InChIKey is XBUSRPYMANVKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO.C4H9NO/c20-18(16-11-5-2-6-12-16)19-14-8-7-13-17(19)15-9-3-1-4-10-15;1-4(2)5-3-6/h1-6,9-12,17H,7-8,13-14H2;3-4H,1-2H3,(H,5,6).
What are the key properties of phenyl-(2-phenylpiperidin-1-yl)methanone;N-propan-2-ylformamide?
phenyl-(2-phenylpiperidin-1-yl)methanone;N-propan-2-ylformamide has a molecular weight of 352.48 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2-phenylpiperidin-1-yl)methanone;N-propan-2-ylformamide is sourced from PubChem (CID 167491595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).