1-butyl-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide

C26H34N2O5 — CID 46521607

IUPAC1-butyl-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
SMILESCCCCN1C(=O)CCC(C(=O)NCc2ccc(OC)c(OC)c2)C1c1ccccc1OC
InChIInChI=1S/C26H34N2O5/c1-5-6-15-28-24(29)14-12-20(25(28)19-9-7-8-10-21(19)31-2)26(30)27-17-18-11-13-22(32-3)23(16-18)33-4/h7-11,13,16,20,25H,5-6,12,14-15,17H2,1-4H3,(H,27,30)
InChIKeyYTSBSQXPCYZDFJ-UHFFFAOYSA-N
MW454.57 g/mol
LogP4.11
Rot. Bonds10

About 1-butyl-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide

1-butyl-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 46521607) has the molecular formula C26H34N2O5 and a molecular weight of 454.57 g/mol. Its IUPAC name is 1-butyl-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
PubChem CID46521607
Molecular FormulaC26H34N2O5
Molecular Weight454.57 g/mol
Exact Mass454.25
IUPAC Name1-butyl-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
SMILESCCCCN1C(=O)CCC(C(=O)NCc2ccc(OC)c(OC)c2)C1c1ccccc1OC
InChIInChI=1S/C26H34N2O5/c1-5-6-15-28-24(29)14-12-20(25(28)19-9-7-8-10-21(19)31-2)26(30)27-17-18-11-13-22(32-3)23(16-18)33-4/h7-11,13,16,20,25H,5-6,12,14-15,17H2,1-4H3,(H,27,30)
InChIKeyYTSBSQXPCYZDFJ-UHFFFAOYSA-N
XLogP4.11
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R)-1-butyl-2-(2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 9255593
1-butyl-N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 24584036
2-[[(2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]acetic acid
CID 125132676
3-[[(2R,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid
CID 125118774
3-[[(2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid
CID 125118772
(2S,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 7130706
(2S,3S)-1-butyl-2-(2-methoxyphenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 94144287
(2S,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxo-N-[3-(2-oxoazepan-1-yl)propyl]piperidine-3-carboxamide
CID 94065115
(2R,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxo-N-[3-(2-oxoazepan-1-yl)propyl]piperidine-3-carboxamide
CID 94065116
1-butyl-2-(2-methoxyphenyl)-6-oxo-N-[3-(2-oxoazepan-1-yl)propyl]piperidine-3-carboxamide
CID 46521632
(2S,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxo-N-prop-2-ynylpiperidine-3-carboxamide
CID 30535404
1-butyl-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 55636367

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-butyl-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide (CID 46521607) is 1-butyl-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-butyl-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide is CCCCN1C(=O)CCC(C(=O)NCc2ccc(OC)c(OC)c2)C1c1ccccc1OC.
What is the InChIKey of 1-butyl-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is YTSBSQXPCYZDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O5/c1-5-6-15-28-24(29)14-12-20(25(28)19-9-7-8-10-21(19)31-2)26(30)27-17-18-11-13-22(32-3)23(16-18)33-4/h7-11,13,16,20,25H,5-6,12,14-15,17H2,1-4H3,(H,27,30).
What are the key properties of 1-butyl-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
1-butyl-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 454.57 g/mol, XLogP of 4.11, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 46521607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).