2,3-dimethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide

C21H26N2O — CID 60600795

IUPAC2,3-dimethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)c1C
InChIInChI=1S/C21H26N2O/c1-15-11-13-23(14-12-15)19-9-7-18(8-10-19)22-21(24)20-6-4-5-16(2)17(20)3/h4-10,15H,11-14H2,1-3H3,(H,22,24)
InChIKeyVEAWNYTWGOJHNP-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.79
Rot. Bonds3

About 2,3-dimethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide

2,3-dimethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide (PubChem CID 60600795) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 2,3-dimethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide
PubChem CID60600795
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name2,3-dimethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)c1C
InChIInChI=1S/C21H26N2O/c1-15-11-13-23(14-12-15)19-9-7-18(8-10-19)22-21(24)20-6-4-5-16(2)17(20)3/h4-10,15H,11-14H2,1-3H3,(H,22,24)
InChIKeyVEAWNYTWGOJHNP-UHFFFAOYSA-N
XLogP4.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-methylsulfonylbenzamide
CID 9303240
5-bromo-2-methoxy-3-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 3967891
2-chloro-4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 21229733
2-(dimethylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-3-carboxamide
CID 110299291
N-(4-methylphenyl)-N'-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108986754
2-iodo-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56559405
N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-methylbenzamide
CID 112502796
N-[4-(4-methylpiperidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 110691023
N'-(3-methylphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108986740
5-[(2-methylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzoic acid
CID 50807328
N-[4-(4-methylpiperidin-1-yl)phenyl]-2,2-diphenylacetamide
CID 19629747
2-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 4500933

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide?
The IUPAC name of 2,3-dimethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide (CID 60600795) is 2,3-dimethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 2,3-dimethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide?
The canonical SMILES for 2,3-dimethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide is Cc1cccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)c1C.
What is the InChIKey of 2,3-dimethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide?
The InChIKey is VEAWNYTWGOJHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-15-11-13-23(14-12-15)19-9-7-18(8-10-19)22-21(24)20-6-4-5-16(2)17(20)3/h4-10,15H,11-14H2,1-3H3,(H,22,24).
What are the key properties of 2,3-dimethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide?
2,3-dimethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide has a molecular weight of 322.45 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 60600795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).