4-(N-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-3-methoxyanilino)-N,N-diethylbenzamide

C25H35N3O2 — CID 10525590

IUPAC4-(N-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-3-methoxyanilino)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)[C@@H]2CCN(C)C[C@@H]2C)cc1
InChIInChI=1S/C25H35N3O2/c1-6-27(7-2)25(29)20-11-13-21(14-12-20)28(22-9-8-10-23(17-22)30-5)24-15-16-26(4)18-19(24)3/h8-14,17,19,24H,6-7,15-16,18H2,1-5H3/t19-,24+/m0/s1
InChIKeyBNEAXOWTFLKGSP-YADARESESA-N
MW409.57 g/mol
LogP4.66
Rot. Bonds7

About 4-(N-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-3-methoxyanilino)-N,N-diethylbenzamide

4-(N-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-3-methoxyanilino)-N,N-diethylbenzamide (PubChem CID 10525590) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is 4-(N-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-3-methoxyanilino)-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-(N-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-3-methoxyanilino)-N,N-diethylbenzamide
PubChem CID10525590
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC Name4-(N-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-3-methoxyanilino)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)[C@@H]2CCN(C)C[C@@H]2C)cc1
InChIInChI=1S/C25H35N3O2/c1-6-27(7-2)25(29)20-11-13-21(14-12-20)28(22-9-8-10-23(17-22)30-5)24-15-16-26(4)18-19(24)3/h8-14,17,19,24H,6-7,15-16,18H2,1-5H3/t19-,24+/m0/s1
InChIKeyBNEAXOWTFLKGSP-YADARESESA-N
XLogP4.66
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.57
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Ethoxybenzoyl)-4-phenylpiperazine
CID 710515
2-cyclohexyl-N-(3-methoxyphenyl)-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxamide
CID 22334090
N-(3-Methoxy-phenyl)-4-(4-phenyl-piperazin-1-ylmethyl)-benzamide
CID 653541
4-((1-benzylpiperidin-4-yl)(3-hydroxyphenyl)amino)-N,N-diethylbenzamide
CID 9911987
4-(dimethylamino)-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzamide
CID 53326601
N,N-diethyl-4-((3-hydroxyphenyl)(1-methylpiperidin-4-yl)amino)benzamide
CID 45485826
N,N-diethyl-4-((1-(2-fluorophenethyl)piperidin-4-yl)(3-hydroxyphenyl)amino)benzamide
CID 45486011
4-((1-(2-cyclopropylethyl)piperidin-4-yl)(3-hydroxyphenyl)amino)-N,N-diethylbenzamide
CID 45486032
N,N-diethyl-4-((1-(3-fluorophenethyl)piperidin-4-yl)(3-hydroxyphenyl)amino)benzamide
CID 45486035
N,N-diethyl-4-((1-(2-(furan-3-yl)ethyl)piperidin-4-yl)(3-hydroxyphenyl)amino)benzamide
CID 45486042
N,N-diethyl-4-((3-hydroxyphenyl)(1-phenethylpiperidin-4-yl)amino)benzamide
CID 45486055
N,N-diethyl-4-((1-(2-(furan-2-yl)ethyl)piperidin-4-yl)(3-hydroxyphenyl)amino)benzamide
CID 45486070

Frequently Asked Questions

What is the IUPAC name of 4-(N-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-3-methoxyanilino)-N,N-diethylbenzamide?
The IUPAC name of 4-(N-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-3-methoxyanilino)-N,N-diethylbenzamide (CID 10525590) is 4-(N-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-3-methoxyanilino)-N,N-diethylbenzamide.
What is the SMILES notation for 4-(N-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-3-methoxyanilino)-N,N-diethylbenzamide?
The canonical SMILES for 4-(N-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-3-methoxyanilino)-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)[C@@H]2CCN(C)C[C@@H]2C)cc1.
What is the InChIKey of 4-(N-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-3-methoxyanilino)-N,N-diethylbenzamide?
The InChIKey is BNEAXOWTFLKGSP-YADARESESA-N. The full InChI is InChI=1S/C25H35N3O2/c1-6-27(7-2)25(29)20-11-13-21(14-12-20)28(22-9-8-10-23(17-22)30-5)24-15-16-26(4)18-19(24)3/h8-14,17,19,24H,6-7,15-16,18H2,1-5H3/t19-,24+/m0/s1.
What are the key properties of 4-(N-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-3-methoxyanilino)-N,N-diethylbenzamide?
4-(N-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-3-methoxyanilino)-N,N-diethylbenzamide has a molecular weight of 409.57 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-3-methoxyanilino)-N,N-diethylbenzamide is sourced from PubChem (CID 10525590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).