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

C16H23ClN2O — CID 109032944

IUPACN-(4-chloro-2-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide
SMILESCc1cc(Cl)ccc1NC(=O)CCN1CCCC(C)C1
InChIInChI=1S/C16H23ClN2O/c1-12-4-3-8-19(11-12)9-7-16(20)18-15-6-5-14(17)10-13(15)2/h5-6,10,12H,3-4,7-9,11H2,1-2H3,(H,18,20)
InChIKeyUPLRHMSCDVTPSP-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.71
Rot. Bonds4

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

N-(4-chloro-2-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide (PubChem CID 109032944) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide
PubChem CID109032944
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-(4-chloro-2-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide
SMILESCc1cc(Cl)ccc1NC(=O)CCN1CCCC(C)C1
InChIInChI=1S/C16H23ClN2O/c1-12-4-3-8-19(11-12)9-7-16(20)18-15-6-5-14(17)10-13(15)2/h5-6,10,12H,3-4,7-9,11H2,1-2H3,(H,18,20)
InChIKeyUPLRHMSCDVTPSP-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-(4-methylpiperidin-1-yl)propanamide
CID 109014572
N-(2-chlorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 3145302
N-(3,4-difluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 3145276
N-(4-amino-2-methylphenyl)-3-(4-methylazepan-1-yl)propanamide
CID 63623312
N-(3-methylphenyl)-3-[(3R)-3-methylpiperidin-1-yl]propanamide
CID 739962
N-(3-amino-4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 16779380
N-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide;hydrochloride
CID 24747038
1-(2,5-dichlorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
CID 82050124
4-methyl-N-[3-methyl-4-[[2-(3-methylpiperidin-1-yl)acetyl]amino]phenyl]benzamide
CID 3206736
3-[(3S)-3-methylpiperidin-1-yl]-N-phenylpropanamide
CID 739976
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride
CID 120728146
N-(2,5-dichlorophenyl)-3-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
CID 119920297

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide (CID 109032944) is N-(4-chloro-2-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide is Cc1cc(Cl)ccc1NC(=O)CCN1CCCC(C)C1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide?
The InChIKey is UPLRHMSCDVTPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-12-4-3-8-19(11-12)9-7-16(20)18-15-6-5-14(17)10-13(15)2/h5-6,10,12H,3-4,7-9,11H2,1-2H3,(H,18,20).
What are the key properties of N-(4-chloro-2-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide?
N-(4-chloro-2-methylphenyl)-3-(3-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-(3-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 109032944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).