N-benzyl-1-[(E)-3-(3,5-dichlorophenyl)prop-2-enoyl]piperidine-4-carboxamide

C22H22Cl2N2O2 — CID 24560077

IUPACN-benzyl-1-[(E)-3-(3,5-dichlorophenyl)prop-2-enoyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(C(=O)/C=C/c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C22H22Cl2N2O2/c23-19-12-17(13-20(24)14-19)6-7-21(27)26-10-8-18(9-11-26)22(28)25-15-16-4-2-1-3-5-16/h1-7,12-14,18H,8-11,15H2,(H,25,28)/b7-6+
InChIKeyLGJKYTVCUSBWKN-VOTSOKGWSA-N
MW417.34 g/mol
LogP4.56
Rot. Bonds5

About N-benzyl-1-[(E)-3-(3,5-dichlorophenyl)prop-2-enoyl]piperidine-4-carboxamide

N-benzyl-1-[(E)-3-(3,5-dichlorophenyl)prop-2-enoyl]piperidine-4-carboxamide (PubChem CID 24560077) has the molecular formula C22H22Cl2N2O2 and a molecular weight of 417.34 g/mol. Its IUPAC name is N-benzyl-1-[(E)-3-(3,5-dichlorophenyl)prop-2-enoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[(E)-3-(3,5-dichlorophenyl)prop-2-enoyl]piperidine-4-carboxamide
PubChem CID24560077
Molecular FormulaC22H22Cl2N2O2
Molecular Weight417.34 g/mol
Exact Mass416.11
IUPAC NameN-benzyl-1-[(E)-3-(3,5-dichlorophenyl)prop-2-enoyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(C(=O)/C=C/c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C22H22Cl2N2O2/c23-19-12-17(13-20(24)14-19)6-7-21(27)26-10-8-18(9-11-26)22(28)25-15-16-4-2-1-3-5-16/h1-7,12-14,18H,8-11,15H2,(H,25,28)/b7-6+
InChIKeyLGJKYTVCUSBWKN-VOTSOKGWSA-N
XLogP4.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.34
LogP ≤ 54.56
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

N-benzyl-1-(3,5-dichlorobenzoyl)piperidine-4-carboxamide
CID 41305444
1-[(E)-3-phenylprop-2-enoyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 46461401
N-benzyl-1-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]piperidine-4-carboxamide
CID 26456578
N-[[4-(difluoromethoxy)phenyl]methyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 25482613
N-benzyl-1-[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]piperidine-4-carboxamide
CID 38062485
N-benzyl-1-(3-chlorophenyl)piperidine-4-carboxamide
CID 17152955
N-benzyl-1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxamide
CID 113003928
1-(3-aminopropanoyl)-N-benzylpiperidine-4-carboxamide;hydrochloride
CID 119273066
N-(2-chlorophenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26574940
N-(3-methylbutyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26637084
(3S)-N-benzyl-1-prop-2-enoylpyrrolidine-3-carboxamide
CID 170709592
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
CID 103598368

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(E)-3-(3,5-dichlorophenyl)prop-2-enoyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[(E)-3-(3,5-dichlorophenyl)prop-2-enoyl]piperidine-4-carboxamide (CID 24560077) is N-benzyl-1-[(E)-3-(3,5-dichlorophenyl)prop-2-enoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[(E)-3-(3,5-dichlorophenyl)prop-2-enoyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[(E)-3-(3,5-dichlorophenyl)prop-2-enoyl]piperidine-4-carboxamide is O=C(NCc1ccccc1)C1CCN(C(=O)/C=C/c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of N-benzyl-1-[(E)-3-(3,5-dichlorophenyl)prop-2-enoyl]piperidine-4-carboxamide?
The InChIKey is LGJKYTVCUSBWKN-VOTSOKGWSA-N. The full InChI is InChI=1S/C22H22Cl2N2O2/c23-19-12-17(13-20(24)14-19)6-7-21(27)26-10-8-18(9-11-26)22(28)25-15-16-4-2-1-3-5-16/h1-7,12-14,18H,8-11,15H2,(H,25,28)/b7-6+.
What are the key properties of N-benzyl-1-[(E)-3-(3,5-dichlorophenyl)prop-2-enoyl]piperidine-4-carboxamide?
N-benzyl-1-[(E)-3-(3,5-dichlorophenyl)prop-2-enoyl]piperidine-4-carboxamide has a molecular weight of 417.34 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(E)-3-(3,5-dichlorophenyl)prop-2-enoyl]piperidine-4-carboxamide is sourced from PubChem (CID 24560077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).