2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-4-yl]-N-methylacetamide

C16H23ClN2O — CID 91648633

IUPAC2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-4-yl]-N-methylacetamide
SMILESCNC(=O)CC1CCN(Cc2ccc(Cl)cc2C)CC1
InChIInChI=1S/C16H23ClN2O/c1-12-9-15(17)4-3-14(12)11-19-7-5-13(6-8-19)10-16(20)18-2/h3-4,9,13H,5-8,10-11H2,1-2H3,(H,18,20)
InChIKeyPUHNWFUGESTJHG-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.00
Rot. Bonds4

About 2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-4-yl]-N-methylacetamide

2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-4-yl]-N-methylacetamide (PubChem CID 91648633) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-4-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-4-yl]-N-methylacetamide
PubChem CID91648633
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-4-yl]-N-methylacetamide
SMILESCNC(=O)CC1CCN(Cc2ccc(Cl)cc2C)CC1
InChIInChI=1S/C16H23ClN2O/c1-12-9-15(17)4-3-14(12)11-19-7-5-13(6-8-19)10-16(20)18-2/h3-4,9,13H,5-8,10-11H2,1-2H3,(H,18,20)
InChIKeyPUHNWFUGESTJHG-UHFFFAOYSA-N
XLogP3.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2-bromo-4-methylphenyl)methyl]piperidin-4-yl]-N-methylacetamide
CID 75439407
(3S)-1-[(4-chloro-2-methylphenyl)methyl]pyrrolidine-3-carboxamide
CID 99638888
2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]acetic acid
CID 114075996
2-[(4-chloro-2-methylphenyl)methylamino]-N-cyclopropylacetamide
CID 113461466
(3R)-1-[(4-chloro-2-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 24904832
N-[(4-chloro-2-methylphenyl)methyl]-1-cyclopropylmethanamine
CID 104853922
N-(2-aminoethyl)-1-[(4-chloro-2-methylphenyl)methyl]piperidine-3-carboxamide
CID 104869329
N-(4-chloro-2-methylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43921571
1-[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922302
N-(5-chloro-2-methylphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969556
N-[[1-[(2-bromo-4-chlorophenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 81490395
2-[(4S)-1-[(2,5-dichlorophenyl)methyl]azepan-4-yl]acetic acid
CID 129489700

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-4-yl]-N-methylacetamide?
The IUPAC name of 2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-4-yl]-N-methylacetamide (CID 91648633) is 2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-4-yl]-N-methylacetamide.
What is the SMILES notation for 2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-4-yl]-N-methylacetamide?
The canonical SMILES for 2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-4-yl]-N-methylacetamide is CNC(=O)CC1CCN(Cc2ccc(Cl)cc2C)CC1.
What is the InChIKey of 2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-4-yl]-N-methylacetamide?
The InChIKey is PUHNWFUGESTJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-12-9-15(17)4-3-14(12)11-19-7-5-13(6-8-19)10-16(20)18-2/h3-4,9,13H,5-8,10-11H2,1-2H3,(H,18,20).
What are the key properties of 2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-4-yl]-N-methylacetamide?
2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-4-yl]-N-methylacetamide has a molecular weight of 294.83 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-4-yl]-N-methylacetamide is sourced from PubChem (CID 91648633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).