2-methyl-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide

C27H35N3O2 — CID 1066450

IUPAC2-methyl-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C27H35N3O2/c1-19-10-14-29(15-11-19)25-9-8-22(28-26(31)23-7-5-4-6-21(23)3)18-24(25)27(32)30-16-12-20(2)13-17-30/h4-9,18-20H,10-17H2,1-3H3,(H,28,31)
InChIKeyWJRLOTPWWLHSDM-UHFFFAOYSA-N
MW433.60 g/mol
LogP5.36
Rot. Bonds4

About 2-methyl-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide

2-methyl-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide (PubChem CID 1066450) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is 2-methyl-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide
PubChem CID1066450
Molecular FormulaC27H35N3O2
Molecular Weight433.60 g/mol
Exact Mass433.27
IUPAC Name2-methyl-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C27H35N3O2/c1-19-10-14-29(15-11-19)25-9-8-22(28-26(31)23-7-5-4-6-21(23)3)18-24(25)27(32)30-16-12-20(2)13-17-30/h4-9,18-20H,10-17H2,1-3H3,(H,28,31)
InChIKeyWJRLOTPWWLHSDM-UHFFFAOYSA-N
XLogP5.36
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.60
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-methylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzoic acid
CID 50807328
N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 1066436
2-methoxy-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 1066472
5-[(2-methylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzoic acid;2,2,2-trifluoroacetic acid
CID 146060507
2-methoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide
CID 42751223
N-[3-(4-methylpiperidine-1-carbonyl)-4-piperidin-1-ylphenyl]benzamide
CID 1066165
2,6-dimethoxy-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 1066476
5-[(2-methylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 3283955
N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]-2-phenylsulfanylacetamide
CID 1066469
5-[(2-methylbenzoyl)amino]-2-(3-methylpiperidin-1-yl)benzoic acid
CID 50807443
N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 42751211
4-chloro-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide
CID 4018717

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide?
The IUPAC name of 2-methyl-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide (CID 1066450) is 2-methyl-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 2-methyl-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide?
The canonical SMILES for 2-methyl-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide is Cc1ccccc1C(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)N2CCC(C)CC2)c1.
What is the InChIKey of 2-methyl-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide?
The InChIKey is WJRLOTPWWLHSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O2/c1-19-10-14-29(15-11-19)25-9-8-22(28-26(31)23-7-5-4-6-21(23)3)18-24(25)27(32)30-16-12-20(2)13-17-30/h4-9,18-20H,10-17H2,1-3H3,(H,28,31).
What are the key properties of 2-methyl-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide?
2-methyl-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide has a molecular weight of 433.60 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 1066450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).