3-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride

C16H25ClN2O — CID 120556745

IUPAC3-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
SMILESCc1ccccc1CCC(=O)NC1CCNCC1C.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-12-5-3-4-6-14(12)7-8-16(19)18-15-9-10-17-11-13(15)2;/h3-6,13,15,17H,7-11H2,1-2H3,(H,18,19);1H
InChIKeyRQLOMEBNTQIUIT-UHFFFAOYSA-N
MW296.84 g/mol
LogP2.46
Rot. Bonds4

About 3-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride

3-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride (PubChem CID 120556745) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 3-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
PubChem CID120556745
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name3-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
SMILESCc1ccccc1CCC(=O)NC1CCNCC1C.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-12-5-3-4-6-14(12)7-8-16(19)18-15-9-10-17-11-13(15)2;/h3-6,13,15,17H,7-11H2,1-2H3,(H,18,19);1H
InChIKeyRQLOMEBNTQIUIT-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120557156
N-(3-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120553778
N-(3-methylpiperidin-4-yl)-3-naphthalen-2-ylpropanamide;hydrochloride
CID 120554205
N-(3-methylpiperidin-4-yl)-3-phenoxypropanamide
CID 79886279
2-(2-methylphenyl)sulfanyl-N-(3-methylpiperidin-4-yl)acetamide
CID 120556800
N-(azetidin-3-yl)-3-(2-methylphenyl)propanamide
CID 66186748
3-(2,4-dichlorophenyl)-N-(3-methylpiperidin-4-yl)propanamide
CID 120553265
3-(4-fluorophenyl)-N-(3-methylpiperidin-4-yl)propanamide
CID 120553300
3-(3-bromophenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120554616
2-[3-(2-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 64812084
N-(3-methylpiperidin-4-yl)-4-(2-phenylethoxy)butanamide;hydrochloride
CID 120555490
3-(4-tert-butylphenyl)-N-(3-methylpiperidin-4-yl)propanamide
CID 120554957

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride?
The IUPAC name of 3-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride (CID 120556745) is 3-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride.
What is the SMILES notation for 3-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride?
The canonical SMILES for 3-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride is Cc1ccccc1CCC(=O)NC1CCNCC1C.Cl.
What is the InChIKey of 3-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride?
The InChIKey is RQLOMEBNTQIUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-12-5-3-4-6-14(12)7-8-16(19)18-15-9-10-17-11-13(15)2;/h3-6,13,15,17H,7-11H2,1-2H3,(H,18,19);1H.
What are the key properties of 3-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride?
3-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride is sourced from PubChem (CID 120556745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).