5-chloro-2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)benzamide

C17H25ClN2O — CID 134505611

IUPAC5-chloro-2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)benzamide
SMILESCc1ccc(Cl)cc1C(=O)NC1(C)CCN(C(C)C)CC1
InChIInChI=1S/C17H25ClN2O/c1-12(2)20-9-7-17(4,8-10-20)19-16(21)15-11-14(18)6-5-13(15)3/h5-6,11-12H,7-10H2,1-4H3,(H,19,21)
InChIKeyHCXCZDRTCLAHIQ-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.64
Rot. Bonds3

About 5-chloro-2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)benzamide

5-chloro-2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)benzamide (PubChem CID 134505611) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)benzamide
PubChem CID134505611
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name5-chloro-2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)benzamide
SMILESCc1ccc(Cl)cc1C(=O)NC1(C)CCN(C(C)C)CC1
InChIInChI=1S/C17H25ClN2O/c1-12(2)20-9-7-17(4,8-10-20)19-16(21)15-11-14(18)6-5-13(15)3/h5-6,11-12H,7-10H2,1-4H3,(H,19,21)
InChIKeyHCXCZDRTCLAHIQ-UHFFFAOYSA-N
XLogP3.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-methyl-N-(3-methylpyrrolidin-3-yl)benzamide
CID 107423069
2,6-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 134505652
N-(1,4-dimethylpiperidin-4-yl)-5-fluoro-2-methylbenzamide
CID 134434469
5-chloro-2-iodo-N-(1-methylcyclopropyl)benzamide
CID 103677274
4-chloro-2-hydroxy-N-(1-methylcyclohexyl)benzamide
CID 61217012
2-bromo-4-chloro-N-(1-methylcyclopropyl)benzamide
CID 103765307
5-chloro-N-[1-(chloromethyl)cyclopentyl]-2-methylbenzamide
CID 82891196
4-chloro-2-hydroxy-N-(4-methyloxan-4-yl)benzamide
CID 115761034
N-[1-(bromomethyl)cyclopentyl]-5-chloro-2-methylbenzamide
CID 82890509
N-[1-(aminomethyl)cyclopentyl]-5-chloro-2-methylbenzamide
CID 82883175
N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-oxocyclohexa-1,4-diene-1-carboxamide
CID 159061032
4-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrimidine-2-carboxamide
CID 134505664

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)benzamide?
The IUPAC name of 5-chloro-2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)benzamide (CID 134505611) is 5-chloro-2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)benzamide.
What is the SMILES notation for 5-chloro-2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)benzamide?
The canonical SMILES for 5-chloro-2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)benzamide is Cc1ccc(Cl)cc1C(=O)NC1(C)CCN(C(C)C)CC1.
What is the InChIKey of 5-chloro-2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)benzamide?
The InChIKey is HCXCZDRTCLAHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-12(2)20-9-7-17(4,8-10-20)19-16(21)15-11-14(18)6-5-13(15)3/h5-6,11-12H,7-10H2,1-4H3,(H,19,21).
What are the key properties of 5-chloro-2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)benzamide?
5-chloro-2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)benzamide has a molecular weight of 308.85 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)benzamide is sourced from PubChem (CID 134505611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).