N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]acetamide

C21H25ClN2O — CID 134802723

IUPACN-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(Cc2cccc(-c3ccc(C)c(Cl)c3)c2)C1
InChIInChI=1S/C21H25ClN2O/c1-15-8-9-19(12-21(15)22)18-6-3-5-17(11-18)13-24-10-4-7-20(14-24)23-16(2)25/h3,5-6,8-9,11-12,20H,4,7,10,13-14H2,1-2H3,(H,23,25)
InChIKeyYQTXNDZWADPQFJ-UHFFFAOYSA-N
MW356.90 g/mol
LogP4.42
Rot. Bonds4

About N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]acetamide

N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]acetamide (PubChem CID 134802723) has the molecular formula C21H25ClN2O and a molecular weight of 356.90 g/mol. Its IUPAC name is N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]acetamide
PubChem CID134802723
Molecular FormulaC21H25ClN2O
Molecular Weight356.90 g/mol
Exact Mass356.17
IUPAC NameN-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(Cc2cccc(-c3ccc(C)c(Cl)c3)c2)C1
InChIInChI=1S/C21H25ClN2O/c1-15-8-9-19(12-21(15)22)18-6-3-5-17(11-18)13-24-10-4-7-20(14-24)23-16(2)25/h3,5-6,8-9,11-12,20H,4,7,10,13-14H2,1-2H3,(H,23,25)
InChIKeyYQTXNDZWADPQFJ-UHFFFAOYSA-N
XLogP4.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-(2-Chlorophenyl)-1-phenylethyl)piperazine
CID 44414719
1-(2-(3-Chlorophenyl)-1-phenylethyl)piperazine
CID 44414720
2-(S)-Amino-4-(2-chloro-benzylamino)-1-piperidin-1-yl-butan-1-one
CID 11232123
N-Cyclohexyl-4-[(2,4-dichlorophenyl)(p-tolyl)methyl]piperazine-1-carboxamide
CID 44177373
N-cyclohexyl-4-[(S)-(2,4-dichlorophenyl)-(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 56930624
2-[(3-chlorophenyl)methylamino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 2095911
2-(4-benzylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 2441640
2-[(3-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
CID 4881897
2-[(3-chlorophenyl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide
CID 4883960
N-(1-benzylpiperidin-4-yl)-2-(2-chlorophenyl)acetamide
CID 10736122
1-(4-((4-Chlorophenyl)(phenyl)methyl)piperazin-1-yl)-4-(ethylamino)butan-1-one
CID 25221145
1-(4-((4-Chlorophenyl)(phenyl)methyl)piperazin-1-yl)-4-(isobutylamino)butan-1-one
CID 25221148

Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]acetamide (CID 134802723) is N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]acetamide is CC(=O)NC1CCCN(Cc2cccc(-c3ccc(C)c(Cl)c3)c2)C1.
What is the InChIKey of N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]acetamide?
The InChIKey is YQTXNDZWADPQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O/c1-15-8-9-19(12-21(15)22)18-6-3-5-17(11-18)13-24-10-4-7-20(14-24)23-16(2)25/h3,5-6,8-9,11-12,20H,4,7,10,13-14H2,1-2H3,(H,23,25).
What are the key properties of N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]acetamide?
N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]acetamide has a molecular weight of 356.90 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 134802723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).