2,4-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide

C27H35N3O4 — CID 1063866

IUPAC2,4-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(C(=O)N3CCCCC3)c2)c(OC)c1
InChIInChI=1S/C27H35N3O4/c1-19-11-15-29(16-12-19)24-10-7-20(17-23(24)27(32)30-13-5-4-6-14-30)28-26(31)22-9-8-21(33-2)18-25(22)34-3/h7-10,17-19H,4-6,11-16H2,1-3H3,(H,28,31)
InChIKeySISCCABTSWVDMB-UHFFFAOYSA-N
MW465.59 g/mol
LogP4.82
Rot. Bonds6

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

2,4-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide (PubChem CID 1063866) has the molecular formula C27H35N3O4 and a molecular weight of 465.59 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide
PubChem CID1063866
Molecular FormulaC27H35N3O4
Molecular Weight465.59 g/mol
Exact Mass465.26
IUPAC Name2,4-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(C(=O)N3CCCCC3)c2)c(OC)c1
InChIInChI=1S/C27H35N3O4/c1-19-11-15-29(16-12-19)24-10-7-20(17-23(24)27(32)30-13-5-4-6-14-30)28-26(31)22-9-8-21(33-2)18-25(22)34-3/h7-10,17-19H,4-6,11-16H2,1-3H3,(H,28,31)
InChIKeySISCCABTSWVDMB-UHFFFAOYSA-N
XLogP4.82
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.59
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethoxy-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 42755598
2-methoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide
CID 42751223
N-cyclohexyl-5-[(2,4-dimethoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide
CID 3643543
2-methoxy-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 1066472
2,6-dimethoxy-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 1066476
5-[(2,4-dimethoxybenzoyl)amino]-N-[(4-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)benzamide
CID 1054167
4-chloro-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide
CID 4018717
5-[(2,4-dimethoxybenzoyl)amino]-2-piperidin-1-yl-N-propylbenzamide
CID 4546352
1-(2,4-dimethoxyphenyl)-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]urea
CID 1064665
1,1-dimethyl-3-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]urea
CID 1054086
N-butan-2-yl-5-[(2,4-dimethoxybenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 4574277
N-[3-(4-methylpiperidine-1-carbonyl)-4-piperidin-1-ylphenyl]benzamide
CID 1066165

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 2,4-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide (CID 1063866) is 2,4-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 2,4-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(C(=O)N3CCCCC3)c2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide?
The InChIKey is SISCCABTSWVDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O4/c1-19-11-15-29(16-12-19)24-10-7-20(17-23(24)27(32)30-13-5-4-6-14-30)28-26(31)22-9-8-21(33-2)18-25(22)34-3/h7-10,17-19H,4-6,11-16H2,1-3H3,(H,28,31).
What are the key properties of 2,4-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide?
2,4-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide has a molecular weight of 465.59 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 1063866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).