(E)-3-(2-chlorophenyl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide

C20H21ClN2O — CID 100508734

IUPAC(E)-3-(2-chlorophenyl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C20H21ClN2O/c21-19-7-3-2-6-16(19)8-13-20(24)22-17-9-11-18(12-10-17)23-14-4-1-5-15-23/h2-3,6-13H,1,4-5,14-15H2,(H,22,24)/b13-8+
InChIKeyDVWOXXADUUJPPB-MDWZMJQESA-N
MW340.85 g/mol
LogP4.98
Rot. Bonds4

About (E)-3-(2-chlorophenyl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide

(E)-3-(2-chlorophenyl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide (PubChem CID 100508734) has the molecular formula C20H21ClN2O and a molecular weight of 340.85 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide
PubChem CID100508734
Molecular FormulaC20H21ClN2O
Molecular Weight340.85 g/mol
Exact Mass340.13
IUPAC Name(E)-3-(2-chlorophenyl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C20H21ClN2O/c21-19-7-3-2-6-16(19)8-13-20(24)22-17-9-11-18(12-10-17)23-14-4-1-5-15-23/h2-3,6-13H,1,4-5,14-15H2,(H,22,24)/b13-8+
InChIKeyDVWOXXADUUJPPB-MDWZMJQESA-N
XLogP4.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 54.98
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

(E)-3-(2-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 6213128
(E)-N-[4-(azepan-1-yl)phenyl]-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 7582196
(E)-3-(2-chlorophenyl)-N-[4-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide
CID 6242476
(E)-3-(2-chlorophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 1108161
(E)-3-(2-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 966048
(E)-3-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
CID 30857317
(E)-3-(2-chlorophenyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]prop-2-enamide
CID 108763700
3-(2-chlorophenyl)-N-(3,5-dichlorophenyl)prop-2-enamide
CID 966103
3-(4-propan-2-ylphenyl)-N-(4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 806937
N-(3-chloro-4-piperidin-1-ylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 3449576
3-(2-chlorophenyl)-N-(3-hydroxyphenyl)prop-2-enamide
CID 692605
4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
CID 8698699

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide (CID 100508734) is (E)-3-(2-chlorophenyl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide is O=C(/C=C/c1ccccc1Cl)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide?
The InChIKey is DVWOXXADUUJPPB-MDWZMJQESA-N. The full InChI is InChI=1S/C20H21ClN2O/c21-19-7-3-2-6-16(19)8-13-20(24)22-17-9-11-18(12-10-17)23-14-4-1-5-15-23/h2-3,6-13H,1,4-5,14-15H2,(H,22,24)/b13-8+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide?
(E)-3-(2-chlorophenyl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide has a molecular weight of 340.85 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide is sourced from PubChem (CID 100508734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).