N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide

C24H27ClN2O2 — CID 75199924

IUPACN-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)C1CCN(C(=O)C=Cc2ccccc2)CC1
InChIInChI=1S/C24H27ClN2O2/c1-18(21-9-6-10-22(25)17-21)26(2)24(29)20-13-15-27(16-14-20)23(28)12-11-19-7-4-3-5-8-19/h3-12,17-18,20H,13-16H2,1-2H3
InChIKeyVUUGYXFJRXBXHG-UHFFFAOYSA-N
MW410.95 g/mol
LogP4.81
Rot. Bonds5

About N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide

N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide (PubChem CID 75199924) has the molecular formula C24H27ClN2O2 and a molecular weight of 410.95 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
PubChem CID75199924
Molecular FormulaC24H27ClN2O2
Molecular Weight410.95 g/mol
Exact Mass410.18
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)C1CCN(C(=O)C=Cc2ccccc2)CC1
InChIInChI=1S/C24H27ClN2O2/c1-18(21-9-6-10-22(25)17-21)26(2)24(29)20-13-15-27(16-14-20)23(28)12-11-19-7-4-3-5-8-19/h3-12,17-18,20H,13-16H2,1-2H3
InChIKeyVUUGYXFJRXBXHG-UHFFFAOYSA-N
XLogP4.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.95
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46591771
N-methyl-N-(2-methylpropyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 134058612
3-(3-chlorophenyl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one
CID 4220867
N-benzyl-1-[(E)-3-phenylprop-2-enoyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 51323600
N-cyclopropyl-N-(1-cyclopropylethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 47026013
N-[1-(2,4-dichlorophenyl)ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 17485493
N-[1-(3-chlorophenyl)ethyl]-N-methylazepane-1-carboxamide
CID 116655792
methyl 3-ethoxy-2-[methyl-[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]amino]propanoate
CID 75535942
1-[(E)-3-phenylprop-2-enoyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 46522990
3-chloro-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]benzamide
CID 108559869
1-(2,5-dichlorophenyl)sulfonyl-N-methyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 43022044
methyl 2-[[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]-propan-2-ylamino]acetate
CID 78878024

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide (CID 75199924) is N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide is CC(c1cccc(Cl)c1)N(C)C(=O)C1CCN(C(=O)C=Cc2ccccc2)CC1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide?
The InChIKey is VUUGYXFJRXBXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O2/c1-18(21-9-6-10-22(25)17-21)26(2)24(29)20-13-15-27(16-14-20)23(28)12-11-19-7-4-3-5-8-19/h3-12,17-18,20H,13-16H2,1-2H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide?
N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide has a molecular weight of 410.95 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide is sourced from PubChem (CID 75199924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).