N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]acetamide

C22H28N2O — CID 134803652

IUPACN-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(Cc2ccc(-c3cc(C)cc(C)c3)cc2)C1
InChIInChI=1S/C22H28N2O/c1-16-11-17(2)13-21(12-16)20-8-6-19(7-9-20)14-24-10-4-5-22(15-24)23-18(3)25/h6-9,11-13,22H,4-5,10,14-15H2,1-3H3,(H,23,25)
InChIKeyIBJYMSKKHGFIBS-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.07
Rot. Bonds4

About N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]acetamide

N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]acetamide (PubChem CID 134803652) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]acetamide
PubChem CID134803652
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC NameN-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(Cc2ccc(-c3cc(C)cc(C)c3)cc2)C1
InChIInChI=1S/C22H28N2O/c1-16-11-17(2)13-21(12-16)20-8-6-19(7-9-20)14-24-10-4-5-22(15-24)23-18(3)25/h6-9,11-13,22H,4-5,10,14-15H2,1-3H3,(H,23,25)
InChIKeyIBJYMSKKHGFIBS-UHFFFAOYSA-N
XLogP4.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]carbamate
CID 134801546
N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]benzamide
CID 134801576
2-chloro-N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]benzamide
CID 134802067
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
N-[(3S)-1-[[4-(difluoromethylsulfanyl)phenyl]methyl]piperidin-3-yl]acetamide
CID 94801163
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]acetamide
CID 171334193
2-(3-acetamidopiperidin-1-yl)-N-(4-methylphenyl)acetamide
CID 60511665
1-cyclopentyl-3-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-3-yl]urea
CID 134799472
CID 134803999
CID 134803999
1-cyclopentyl-3-[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]urea
CID 134802563
N-methyl-1-[(4-phenylphenyl)methyl]piperidin-3-amine
CID 62535196
N-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]acetamide
CID 99589276

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]acetamide (CID 134803652) is N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]acetamide is CC(=O)NC1CCCN(Cc2ccc(-c3cc(C)cc(C)c3)cc2)C1.
What is the InChIKey of N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]acetamide?
The InChIKey is IBJYMSKKHGFIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-16-11-17(2)13-21(12-16)20-8-6-19(7-9-20)14-24-10-4-5-22(15-24)23-18(3)25/h6-9,11-13,22H,4-5,10,14-15H2,1-3H3,(H,23,25).
What are the key properties of N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]acetamide?
N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]acetamide has a molecular weight of 336.48 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 134803652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).