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

C27H35N3O3 — CID 1066472

IUPAC2-methoxy-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C27H35N3O3/c1-19-10-14-29(15-11-19)24-9-8-21(28-26(31)22-6-4-5-7-25(22)33-3)18-23(24)27(32)30-16-12-20(2)13-17-30/h4-9,18-20H,10-17H2,1-3H3,(H,28,31)
InChIKeyTYZOGXWDXFJIJM-UHFFFAOYSA-N
MW449.60 g/mol
LogP5.06
Rot. Bonds5

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

2-methoxy-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide (PubChem CID 1066472) has the molecular formula C27H35N3O3 and a molecular weight of 449.60 g/mol. Its IUPAC name is 2-methoxy-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide
PubChem CID1066472
Molecular FormulaC27H35N3O3
Molecular Weight449.60 g/mol
Exact Mass449.27
IUPAC Name2-methoxy-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C27H35N3O3/c1-19-10-14-29(15-11-19)24-9-8-21(28-26(31)22-6-4-5-7-25(22)33-3)18-23(24)27(32)30-16-12-20(2)13-17-30/h4-9,18-20H,10-17H2,1-3H3,(H,28,31)
InChIKeyTYZOGXWDXFJIJM-UHFFFAOYSA-N
XLogP5.06
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.60
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide
CID 42751223
2,6-dimethoxy-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 1066476
2-methyl-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 1066450
N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 1066436
2,4-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide
CID 1063866
N-[3-(4-methylpiperidine-1-carbonyl)-4-piperidin-1-ylphenyl]benzamide
CID 1066165
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
2-bromo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]benzamide
CID 42752888
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]-2-phenylsulfanylacetamide
CID 1066469
N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]-2-phenylmethoxyacetamide
CID 1066466
2,6-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 3884953

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide?
The IUPAC name of 2-methoxy-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide (CID 1066472) is 2-methoxy-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide?
The canonical SMILES for 2-methoxy-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide is COc1ccccc1C(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)N2CCC(C)CC2)c1.
What is the InChIKey of 2-methoxy-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide?
The InChIKey is TYZOGXWDXFJIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O3/c1-19-10-14-29(15-11-19)24-9-8-21(28-26(31)22-6-4-5-7-25(22)33-3)18-23(24)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-methoxy-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide?
2-methoxy-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide has a molecular weight of 449.60 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 1066472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).