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

C17H25Cl2N3O2 — CID 120574869

IUPAC3-acetamido-3-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride
SMILESCC(=O)NC(CC(=O)NC1CCCNC1C)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C17H24ClN3O2.ClH/c1-11-15(4-3-9-19-11)21-17(23)10-16(20-12(2)22)13-5-7-14(18)8-6-13;/h5-8,11,15-16,19H,3-4,9-10H2,1-2H3,(H,20,22)(H,21,23);1H
InChIKeySGRILDVJIRRNIL-UHFFFAOYSA-N
MW374.31 g/mol
LogP2.59
Rot. Bonds5

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

3-acetamido-3-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride (PubChem CID 120574869) has the molecular formula C17H25Cl2N3O2 and a molecular weight of 374.31 g/mol. Its IUPAC name is 3-acetamido-3-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-acetamido-3-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride
PubChem CID120574869
Molecular FormulaC17H25Cl2N3O2
Molecular Weight374.31 g/mol
Exact Mass373.13
IUPAC Name3-acetamido-3-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride
SMILESCC(=O)NC(CC(=O)NC1CCCNC1C)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C17H24ClN3O2.ClH/c1-11-15(4-3-9-19-11)21-17(23)10-16(20-12(2)22)13-5-7-14(18)8-6-13;/h5-8,11,15-16,19H,3-4,9-10H2,1-2H3,(H,20,22)(H,21,23);1H
InChIKeySGRILDVJIRRNIL-UHFFFAOYSA-N
XLogP2.59
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.31
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-3-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120576079
3-acetamido-3-(4-bromophenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120577272
3-acetamido-3-(2,4-difluorophenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120576940
2-(4-chlorophenyl)sulfonyl-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120576176
4-methyl-N-[3-[(2-methylpiperidin-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 120577601
3-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120574232
N-(2-methylpiperidin-3-yl)-2-phenylacetamide;hydrochloride
CID 120574528
N-(2-methylpiperidin-3-yl)-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 120576470
5-chloro-2-ethylsulfanyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120575162
3-acetamido-3-(4-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride
CID 120946780
3-acetamido-3-(4-chlorophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide
CID 51312505
3-acetamido-3-(4-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]propanamide
CID 46691683

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride?
The IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride (CID 120574869) is 3-acetamido-3-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride.
What is the SMILES notation for 3-acetamido-3-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride?
The canonical SMILES for 3-acetamido-3-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride is CC(=O)NC(CC(=O)NC1CCCNC1C)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 3-acetamido-3-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride?
The InChIKey is SGRILDVJIRRNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2.ClH/c1-11-15(4-3-9-19-11)21-17(23)10-16(20-12(2)22)13-5-7-14(18)8-6-13;/h5-8,11,15-16,19H,3-4,9-10H2,1-2H3,(H,20,22)(H,21,23);1H.
What are the key properties of 3-acetamido-3-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride?
3-acetamido-3-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride has a molecular weight of 374.31 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride is sourced from PubChem (CID 120574869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).