1-(4-phenylphenyl)-3-piperidin-1-ylprop-2-en-1-one

C20H21NO — CID 1322238

IUPAC1-(4-phenylphenyl)-3-piperidin-1-ylprop-2-en-1-one
SMILESO=C(C=CN1CCCCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H21NO/c22-20(13-16-21-14-5-2-6-15-21)19-11-9-18(10-12-19)17-7-3-1-4-8-17/h1,3-4,7-13,16H,2,5-6,14-15H2
InChIKeyNSGHODSKIHBOGF-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.54
Rot. Bonds4

About 1-(4-phenylphenyl)-3-piperidin-1-ylprop-2-en-1-one

1-(4-phenylphenyl)-3-piperidin-1-ylprop-2-en-1-one (PubChem CID 1322238) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-(4-phenylphenyl)-3-piperidin-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name1-(4-phenylphenyl)-3-piperidin-1-ylprop-2-en-1-one
PubChem CID1322238
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name1-(4-phenylphenyl)-3-piperidin-1-ylprop-2-en-1-one
SMILESO=C(C=CN1CCCCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H21NO/c22-20(13-16-21-14-5-2-6-15-21)19-11-9-18(10-12-19)17-7-3-1-4-8-17/h1,3-4,7-13,16H,2,5-6,14-15H2
InChIKeyNSGHODSKIHBOGF-UHFFFAOYSA-N
XLogP4.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-morpholin-4-yl-1-(4-phenylphenyl)prop-2-en-1-one
CID 2917217
(E)-1-(4-chlorophenyl)-3-piperidin-1-ylprop-2-en-1-one
CID 877875
1-(4-phenylphenyl)-3-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 91026256
3-(azepan-1-yl)-1-[4-(difluoromethoxy)phenyl]prop-2-en-1-one
CID 4775984
(E)-3-anilino-1-(4-phenylphenyl)prop-2-en-1-one
CID 39346527
S-phenyl (E)-3-piperidin-1-ylprop-2-enethioate
CID 140676617
3-piperidin-1-yl-1-quinolin-3-ylprop-2-en-1-one
CID 68717094
phenyl 3-(azocan-1-yl)prop-2-enoate
CID 2751342
3-(dimethylamino)-1-(4-phenylphenyl)prop-2-en-1-one
CID 737448
4-phenyl-N-(piperidine-1-carbothioyl)benzamide
CID 932770
(2E,4Z)-4-fluoro-1-phenyl-5-piperidin-1-ylpenta-2,4-dien-1-one
CID 15866325
3-(2-chlorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 5175101

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenyl)-3-piperidin-1-ylprop-2-en-1-one?
The IUPAC name of 1-(4-phenylphenyl)-3-piperidin-1-ylprop-2-en-1-one (CID 1322238) is 1-(4-phenylphenyl)-3-piperidin-1-ylprop-2-en-1-one.
What is the SMILES notation for 1-(4-phenylphenyl)-3-piperidin-1-ylprop-2-en-1-one?
The canonical SMILES for 1-(4-phenylphenyl)-3-piperidin-1-ylprop-2-en-1-one is O=C(C=CN1CCCCC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(4-phenylphenyl)-3-piperidin-1-ylprop-2-en-1-one?
The InChIKey is NSGHODSKIHBOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c22-20(13-16-21-14-5-2-6-15-21)19-11-9-18(10-12-19)17-7-3-1-4-8-17/h1,3-4,7-13,16H,2,5-6,14-15H2.
What are the key properties of 1-(4-phenylphenyl)-3-piperidin-1-ylprop-2-en-1-one?
1-(4-phenylphenyl)-3-piperidin-1-ylprop-2-en-1-one has a molecular weight of 291.39 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenyl)-3-piperidin-1-ylprop-2-en-1-one is sourced from PubChem (CID 1322238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).