N-[4-[4-(3-chlorophenyl)piperidine-1-carbonyl]phenyl]prop-2-enamide

C21H21ClN2O2 — CID 166405289

IUPACN-[4-[4-(3-chlorophenyl)piperidine-1-carbonyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(C(=O)N2CCC(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C21H21ClN2O2/c1-2-20(25)23-19-8-6-16(7-9-19)21(26)24-12-10-15(11-13-24)17-4-3-5-18(22)14-17/h2-9,14-15H,1,10-13H2,(H,23,25)
InChIKeySFEHNVHFDHWCCK-UHFFFAOYSA-N
MW368.86 g/mol
LogP4.48
Rot. Bonds4

About N-[4-[4-(3-chlorophenyl)piperidine-1-carbonyl]phenyl]prop-2-enamide

N-[4-[4-(3-chlorophenyl)piperidine-1-carbonyl]phenyl]prop-2-enamide (PubChem CID 166405289) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is N-[4-[4-(3-chlorophenyl)piperidine-1-carbonyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[4-(3-chlorophenyl)piperidine-1-carbonyl]phenyl]prop-2-enamide
PubChem CID166405289
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC NameN-[4-[4-(3-chlorophenyl)piperidine-1-carbonyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(C(=O)N2CCC(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C21H21ClN2O2/c1-2-20(25)23-19-8-6-16(7-9-19)21(26)24-12-10-15(11-13-24)17-4-3-5-18(22)14-17/h2-9,14-15H,1,10-13H2,(H,23,25)
InChIKeySFEHNVHFDHWCCK-UHFFFAOYSA-N
XLogP4.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopropyl-N-[4-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]benzamide
CID 172887237
N-[4-[4-(3-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl]prop-2-enamide
CID 166411849
1-[4-[(3-chlorobenzoyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250693
N-[4-(2-methyl-7-phenyl-1,4-oxazepane-4-carbonyl)phenyl]prop-2-enamide
CID 166408583
1-[5-[4-(3-chlorophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea
CID 68953307
N-[4-[4-(4-fluorobenzoyl)-1,4-diazepane-1-carbonyl]phenyl]prop-2-enamide
CID 166411881
3-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17172890
1-(3-chlorobenzoyl)-N-(4-chlorophenyl)piperidine-4-carboxamide
CID 113007193
5-(3-chlorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazolidine-3-carboxamide
CID 52989249
3-chloro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 2970403
N-[4-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]prop-2-enamide
CID 166403525
N-[4-[2-(2-chloro-4-fluorophenyl)morpholine-4-carbonyl]phenyl]prop-2-enamide
CID 166411739

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-chlorophenyl)piperidine-1-carbonyl]phenyl]prop-2-enamide?
The IUPAC name of N-[4-[4-(3-chlorophenyl)piperidine-1-carbonyl]phenyl]prop-2-enamide (CID 166405289) is N-[4-[4-(3-chlorophenyl)piperidine-1-carbonyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[4-(3-chlorophenyl)piperidine-1-carbonyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-[4-(3-chlorophenyl)piperidine-1-carbonyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(C(=O)N2CCC(c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of N-[4-[4-(3-chlorophenyl)piperidine-1-carbonyl]phenyl]prop-2-enamide?
The InChIKey is SFEHNVHFDHWCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c1-2-20(25)23-19-8-6-16(7-9-19)21(26)24-12-10-15(11-13-24)17-4-3-5-18(22)14-17/h2-9,14-15H,1,10-13H2,(H,23,25).
What are the key properties of N-[4-[4-(3-chlorophenyl)piperidine-1-carbonyl]phenyl]prop-2-enamide?
N-[4-[4-(3-chlorophenyl)piperidine-1-carbonyl]phenyl]prop-2-enamide has a molecular weight of 368.86 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-chlorophenyl)piperidine-1-carbonyl]phenyl]prop-2-enamide is sourced from PubChem (CID 166405289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).