N-[4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]phenyl]acetamide

C21H24Cl2N2O — CID 46089334

IUPACN-[4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1
InChIInChI=1S/C21H24Cl2N2O/c1-15(26)24-19-5-2-16(3-6-19)12-17-8-10-25(11-9-17)14-18-4-7-20(22)21(23)13-18/h2-7,13,17H,8-12,14H2,1H3,(H,24,26)
InChIKeySHAMTBMESUXFAC-UHFFFAOYSA-N
MW391.34 g/mol
LogP5.41
Rot. Bonds5

About N-[4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]phenyl]acetamide

N-[4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]phenyl]acetamide (PubChem CID 46089334) has the molecular formula C21H24Cl2N2O and a molecular weight of 391.34 g/mol. Its IUPAC name is N-[4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]phenyl]acetamide
PubChem CID46089334
Molecular FormulaC21H24Cl2N2O
Molecular Weight391.34 g/mol
Exact Mass390.13
IUPAC NameN-[4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1
InChIInChI=1S/C21H24Cl2N2O/c1-15(26)24-19-5-2-16(3-6-19)12-17-8-10-25(11-9-17)14-18-4-7-20(22)21(23)13-18/h2-7,13,17H,8-12,14H2,1H3,(H,24,26)
InChIKeySHAMTBMESUXFAC-UHFFFAOYSA-N
XLogP5.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.34
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]acetamide;hydrochloride
CID 118025180
N-(4-carbamoylphenyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 38105132
(2S)-2-[(4-chlorophenyl)carbamothioylamino]-N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]propanamide
CID 3006343
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 17279131
1-[(3,4-dichlorophenyl)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 43922106
2-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]ethanol
CID 10637061
1-[(3,4-dichlorophenyl)methyl]-4-propylpiperidine
CID 144996291
(E)-3-(3,4-dichlorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]prop-2-enamide
CID 108760689
1-[(3,4-dichlorophenyl)methyl]-4-methylpiperidine
CID 22197662
(2R)-2-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]propanamide;dihydrochloride
CID 119883495
[2-[[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]methyl]-3-methylphenyl]urea
CID 142000870
N-[4-[[3-(1H-indazol-5-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 59159232

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]phenyl]acetamide (CID 46089334) is N-[4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1.
What is the InChIKey of N-[4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]phenyl]acetamide?
The InChIKey is SHAMTBMESUXFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O/c1-15(26)24-19-5-2-16(3-6-19)12-17-8-10-25(11-9-17)14-18-4-7-20(22)21(23)13-18/h2-7,13,17H,8-12,14H2,1H3,(H,24,26).
What are the key properties of N-[4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]phenyl]acetamide?
N-[4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]phenyl]acetamide has a molecular weight of 391.34 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 46089334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).