3-(4-chlorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]prop-2-enamide

C21H23ClN2O — CID 3699776

IUPAC3-(4-chlorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]prop-2-enamide
SMILESCC1CCN(c2ccc(NC(=O)C=Cc3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C21H23ClN2O/c1-16-12-14-24(15-13-16)20-9-7-19(8-10-20)23-21(25)11-4-17-2-5-18(22)6-3-17/h2-11,16H,12-15H2,1H3,(H,23,25)
InChIKeyABMKJJWKXOEACM-UHFFFAOYSA-N
MW354.88 g/mol
LogP5.23
Rot. Bonds4

About 3-(4-chlorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]prop-2-enamide

3-(4-chlorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]prop-2-enamide (PubChem CID 3699776) has the molecular formula C21H23ClN2O and a molecular weight of 354.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]prop-2-enamide
PubChem CID3699776
Molecular FormulaC21H23ClN2O
Molecular Weight354.88 g/mol
Exact Mass354.15
IUPAC Name3-(4-chlorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]prop-2-enamide
SMILESCC1CCN(c2ccc(NC(=O)C=Cc3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C21H23ClN2O/c1-16-12-14-24(15-13-16)20-9-7-19(8-10-20)23-21(25)11-4-17-2-5-18(22)6-3-17/h2-11,16H,12-15H2,1H3,(H,23,25)
InChIKeyABMKJJWKXOEACM-UHFFFAOYSA-N
XLogP5.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.88
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 878244
(E)-3-(4-chlorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]prop-2-enamide
CID 121141603
(E)-N-[[4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 22777662
3-(3,5-dichloro-2-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]prop-2-enamide
CID 4008558
3-(4-propan-2-ylphenyl)-N-(4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 806937
3-(4-chlorophenyl)-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]prop-2-enamide
CID 3484854
(E)-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1491042
3-(4-chlorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 3267972
3-(4-chlorophenyl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one
CID 809689
N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 763457
1-(3-chloro-4-fluorophenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108991879
(E)-3-(4-chlorophenyl)-N-(4-iodophenyl)prop-2-enamide
CID 1179042

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]prop-2-enamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]prop-2-enamide (CID 3699776) is 3-(4-chlorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]prop-2-enamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]prop-2-enamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]prop-2-enamide is CC1CCN(c2ccc(NC(=O)C=Cc3ccc(Cl)cc3)cc2)CC1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]prop-2-enamide?
The InChIKey is ABMKJJWKXOEACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O/c1-16-12-14-24(15-13-16)20-9-7-19(8-10-20)23-21(25)11-4-17-2-5-18(22)6-3-17/h2-11,16H,12-15H2,1H3,(H,23,25).
What are the key properties of 3-(4-chlorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]prop-2-enamide?
3-(4-chlorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]prop-2-enamide has a molecular weight of 354.88 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 3699776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).