N-(4-chloro-2-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide

C16H23ClN2O — CID 109014572

IUPACN-(4-chloro-2-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
SMILESCc1cc(Cl)ccc1NC(=O)CCN1CCC(C)CC1
InChIInChI=1S/C16H23ClN2O/c1-12-5-8-19(9-6-12)10-7-16(20)18-15-4-3-14(17)11-13(15)2/h3-4,11-12H,5-10H2,1-2H3,(H,18,20)
InChIKeyUXZIELUZPRHWGM-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.71
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide

N-(4-chloro-2-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide (PubChem CID 109014572) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
PubChem CID109014572
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-(4-chloro-2-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
SMILESCc1cc(Cl)ccc1NC(=O)CCN1CCC(C)CC1
InChIInChI=1S/C16H23ClN2O/c1-12-5-8-19(9-6-12)10-7-16(20)18-15-4-3-14(17)11-13(15)2/h3-4,11-12H,5-10H2,1-2H3,(H,18,20)
InChIKeyUXZIELUZPRHWGM-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 109032944
N-(3-chlorophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 109014570
N-(4-amino-2-methylphenyl)-3-(4-methylazepan-1-yl)propanamide
CID 63623312
N-(4-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 109027177
N-(2-bromo-4-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 109014604
N-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid
CID 171154390
N-(2-aminophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 16778789
N-(4-bromo-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 773010
3-(4-methylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 109014565
N-(2-amino-4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 16779432
N-(2-amino-4-chlorophenyl)-3-(4-methoxypiperidin-1-yl)propanamide
CID 43372578
N-(4-bromo-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide;hydrochloride
CID 23724258

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide (CID 109014572) is N-(4-chloro-2-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide is Cc1cc(Cl)ccc1NC(=O)CCN1CCC(C)CC1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide?
The InChIKey is UXZIELUZPRHWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-12-5-8-19(9-6-12)10-7-16(20)18-15-4-3-14(17)11-13(15)2/h3-4,11-12H,5-10H2,1-2H3,(H,18,20).
What are the key properties of N-(4-chloro-2-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide?
N-(4-chloro-2-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide has a molecular weight of 294.83 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 109014572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).