(Z)-1-(2-ethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one

C22H25NO — CID 6378625

IUPAC(Z)-1-(2-ethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one
SMILESCCC1CCCCN1C(=O)/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25NO/c1-2-20-15-9-10-16-23(20)22(24)21(19-13-7-4-8-14-19)17-18-11-5-3-6-12-18/h3-8,11-14,17,20H,2,9-10,15-16H2,1H3/b21-17-
InChIKeyRNUULRUVXTYOJP-FXBPSFAMSA-N
MW319.45 g/mol
LogP5.02
Rot. Bonds4

About (Z)-1-(2-ethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one

(Z)-1-(2-ethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one (PubChem CID 6378625) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is (Z)-1-(2-ethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(2-ethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one
PubChem CID6378625
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Name(Z)-1-(2-ethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one
SMILESCCC1CCCCN1C(=O)/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25NO/c1-2-20-15-9-10-16-23(20)22(24)21(19-13-7-4-8-14-19)17-18-11-5-3-6-12-18/h3-8,11-14,17,20H,2,9-10,15-16H2,1H3/b21-17-
InChIKeyRNUULRUVXTYOJP-FXBPSFAMSA-N
XLogP5.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.45
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-[(2S)-2-ethylpiperidin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 2162217
(Z)-1-[(2R)-2-ethylpiperidin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 2162218
(Z)-1-[(2S)-2-methylpiperidin-1-yl]-2,3-diphenylprop-2-en-1-one
CID 2186177
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 7448224
(E)-2,3-diphenyl-1-piperidin-1-ylprop-2-en-1-one
CID 1208524
(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630
N-(4-anilinophenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide
CID 108523479
1-(2-ethylpiperidin-1-yl)-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
CID 108523573
N-[3-(2-ethylpiperidin-1-yl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 4098297
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
(2-ethylpiperidin-1-yl)-(1-phenylcyclobutyl)methanone
CID 110487740

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2-ethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one?
The IUPAC name of (Z)-1-(2-ethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one (CID 6378625) is (Z)-1-(2-ethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one.
What is the SMILES notation for (Z)-1-(2-ethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one?
The canonical SMILES for (Z)-1-(2-ethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one is CCC1CCCCN1C(=O)/C(=C\c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-1-(2-ethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one?
The InChIKey is RNUULRUVXTYOJP-FXBPSFAMSA-N. The full InChI is InChI=1S/C22H25NO/c1-2-20-15-9-10-16-23(20)22(24)21(19-13-7-4-8-14-19)17-18-11-5-3-6-12-18/h3-8,11-14,17,20H,2,9-10,15-16H2,1H3/b21-17-.
What are the key properties of (Z)-1-(2-ethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one?
(Z)-1-(2-ethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one has a molecular weight of 319.45 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2-ethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one is sourced from PubChem (CID 6378625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).