N-[(4-chlorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide

C24H31ClN2O — CID 164851901

IUPACN-[(4-chlorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
SMILESCCCC(=O)N(Cc1ccc(Cl)cc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C24H31ClN2O/c1-2-6-24(28)27(19-21-9-11-22(25)12-10-21)23-14-17-26(18-15-23)16-13-20-7-4-3-5-8-20/h3-5,7-12,23H,2,6,13-19H2,1H3
InChIKeySTSWVYZODOWZLG-UHFFFAOYSA-N
MW398.98 g/mol
LogP5.18
Rot. Bonds8

About N-[(4-chlorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide

N-[(4-chlorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide (PubChem CID 164851901) has the molecular formula C24H31ClN2O and a molecular weight of 398.98 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
PubChem CID164851901
Molecular FormulaC24H31ClN2O
Molecular Weight398.98 g/mol
Exact Mass398.21
IUPAC NameN-[(4-chlorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
SMILESCCCC(=O)N(Cc1ccc(Cl)cc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C24H31ClN2O/c1-2-6-24(28)27(19-21-9-11-22(25)12-10-21)23-14-17-26(18-15-23)16-13-20-7-4-3-5-8-20/h3-5,7-12,23H,2,6,13-19H2,1H3
InChIKeySTSWVYZODOWZLG-UHFFFAOYSA-N
XLogP5.18
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.98
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 164851926
N-(1-butylpiperidin-4-yl)-N-[[4-[(7-chloroquinolin-4-yl)amino]phenyl]methyl]-3-phenylpropanamide
CID 19760347
N-(4-methoxyphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 118796493
N-benzyl-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]butanamide
CID 23859290
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 134032079
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
N-[2-(4-chlorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
CID 30983457
N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 24731148
ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 160668171
N-cyclopentyl-N-(2-phenylethyl)butanamide
CID 78853681
N-[[3-(aminomethyl)phenyl]methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide;2,2,2-trifluoroacetic acid
CID 53323523
1-[2-(4-chlorophenyl)ethyl]-4-propylpiperazine
CID 70460835

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide (CID 164851901) is N-[(4-chlorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide is CCCC(=O)N(Cc1ccc(Cl)cc1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide?
The InChIKey is STSWVYZODOWZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN2O/c1-2-6-24(28)27(19-21-9-11-22(25)12-10-21)23-14-17-26(18-15-23)16-13-20-7-4-3-5-8-20/h3-5,7-12,23H,2,6,13-19H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide?
N-[(4-chlorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide has a molecular weight of 398.98 g/mol, XLogP of 5.18, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide is sourced from PubChem (CID 164851901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).