1-butyl-N-(3,5-dimethoxyphenyl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide

C25H32N2O5 — CID 24641087

IUPAC1-butyl-N-(3,5-dimethoxyphenyl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
SMILESCCCCN1C(=O)CCC(C(=O)Nc2cc(OC)cc(OC)c2)C1c1ccccc1OC
InChIInChI=1S/C25H32N2O5/c1-5-6-13-27-23(28)12-11-21(24(27)20-9-7-8-10-22(20)32-4)25(29)26-17-14-18(30-2)16-19(15-17)31-3/h7-10,14-16,21,24H,5-6,11-13H2,1-4H3,(H,26,29)
InChIKeyNRGDIUAQOXPPIE-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.43
Rot. Bonds9

About 1-butyl-N-(3,5-dimethoxyphenyl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide

1-butyl-N-(3,5-dimethoxyphenyl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 24641087) has the molecular formula C25H32N2O5 and a molecular weight of 440.54 g/mol. Its IUPAC name is 1-butyl-N-(3,5-dimethoxyphenyl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(3,5-dimethoxyphenyl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
PubChem CID24641087
Molecular FormulaC25H32N2O5
Molecular Weight440.54 g/mol
Exact Mass440.23
IUPAC Name1-butyl-N-(3,5-dimethoxyphenyl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
SMILESCCCCN1C(=O)CCC(C(=O)Nc2cc(OC)cc(OC)c2)C1c1ccccc1OC
InChIInChI=1S/C25H32N2O5/c1-5-6-13-27-23(28)12-11-21(24(27)20-9-7-8-10-22(20)32-4)25(29)26-17-14-18(30-2)16-19(15-17)31-3/h7-10,14-16,21,24H,5-6,11-13H2,1-4H3,(H,26,29)
InChIKeyNRGDIUAQOXPPIE-UHFFFAOYSA-N
XLogP4.43
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R)-1-butyl-N-cyclopropyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 41045510
2-[[(2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]acetic acid
CID 125132676
(2S,3R)-1-butyl-2-(2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 9255593
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
(2R,3S)-1-butyl-N-[3-(cyclopropylcarbamoyl)phenyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 40808708
(2S,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 7130706
(2S,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxo-N-prop-2-ynylpiperidine-3-carboxamide
CID 30535404
1-butyl-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 46521607
1-butyl-2-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 24645342
(2R,3S)-1-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 8927363
1-butyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 24645150

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(3,5-dimethoxyphenyl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-butyl-N-(3,5-dimethoxyphenyl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide (CID 24641087) is 1-butyl-N-(3,5-dimethoxyphenyl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-(3,5-dimethoxyphenyl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-butyl-N-(3,5-dimethoxyphenyl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide is CCCCN1C(=O)CCC(C(=O)Nc2cc(OC)cc(OC)c2)C1c1ccccc1OC.
What is the InChIKey of 1-butyl-N-(3,5-dimethoxyphenyl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is NRGDIUAQOXPPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O5/c1-5-6-13-27-23(28)12-11-21(24(27)20-9-7-8-10-22(20)32-4)25(29)26-17-14-18(30-2)16-19(15-17)31-3/h7-10,14-16,21,24H,5-6,11-13H2,1-4H3,(H,26,29).
What are the key properties of 1-butyl-N-(3,5-dimethoxyphenyl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
1-butyl-N-(3,5-dimethoxyphenyl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 440.54 g/mol, XLogP of 4.43, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(3,5-dimethoxyphenyl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24641087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).