N-(3,5-dimethoxyphenyl)-4-oxo-2-piperidin-1-yl-4-(4-propan-2-ylphenyl)butanamide

C26H34N2O4 — CID 90677121

IUPACN-(3,5-dimethoxyphenyl)-4-oxo-2-piperidin-1-yl-4-(4-propan-2-ylphenyl)butanamide
SMILESCOc1cc(NC(=O)C(CC(=O)c2ccc(C(C)C)cc2)N2CCCCC2)cc(OC)c1
InChIInChI=1S/C26H34N2O4/c1-18(2)19-8-10-20(11-9-19)25(29)17-24(28-12-6-5-7-13-28)26(30)27-21-14-22(31-3)16-23(15-21)32-4/h8-11,14-16,18,24H,5-7,12-13,17H2,1-4H3,(H,27,30)
InChIKeyMWQWDGHUAWKGEO-UHFFFAOYSA-N
MW438.57 g/mol
LogP4.89
Rot. Bonds9

About N-(3,5-dimethoxyphenyl)-4-oxo-2-piperidin-1-yl-4-(4-propan-2-ylphenyl)butanamide

N-(3,5-dimethoxyphenyl)-4-oxo-2-piperidin-1-yl-4-(4-propan-2-ylphenyl)butanamide (PubChem CID 90677121) has the molecular formula C26H34N2O4 and a molecular weight of 438.57 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-4-oxo-2-piperidin-1-yl-4-(4-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-4-oxo-2-piperidin-1-yl-4-(4-propan-2-ylphenyl)butanamide
PubChem CID90677121
Molecular FormulaC26H34N2O4
Molecular Weight438.57 g/mol
Exact Mass438.25
IUPAC NameN-(3,5-dimethoxyphenyl)-4-oxo-2-piperidin-1-yl-4-(4-propan-2-ylphenyl)butanamide
SMILESCOc1cc(NC(=O)C(CC(=O)c2ccc(C(C)C)cc2)N2CCCCC2)cc(OC)c1
InChIInChI=1S/C26H34N2O4/c1-18(2)19-8-10-20(11-9-19)25(29)17-24(28-12-6-5-7-13-28)26(30)27-21-14-22(31-3)16-23(15-21)32-4/h8-11,14-16,18,24H,5-7,12-13,17H2,1-4H3,(H,27,30)
InChIKeyMWQWDGHUAWKGEO-UHFFFAOYSA-N
XLogP4.89
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylpiperazin-1-yl)-4-oxo-N,4-bis(4-propan-2-ylphenyl)butanamide
CID 90677123
(2S)-2-(4-methylpiperazin-1-yl)-4-oxo-4-(4-propan-2-ylphenyl)butanoic acid
CID 680060
4-(4-chlorophenyl)-4-oxo-2-piperidin-1-ylbutanoic acid;hydrate
CID 21152996
1-(4-chlorophenyl)-2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]ethanone
CID 110825339
4-(azepan-1-ylsulfonyl)-N-(3,5-dimethoxyphenyl)benzamide
CID 7772876
(3S)-3-(azepan-1-yl)-4-(4-chloroanilino)-4-oxobutanoic acid
CID 7247950
4-(4-chloroanilino)-4-oxo-3-piperidin-1-ylbutanoic acid
CID 2957775
1-(4-methoxyphenyl)-2-piperidin-1-ylpropan-1-one
CID 43227136
N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 47162141
(2R)-N-(3,5-dimethoxyphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 102377979
1-(3,5-dimethoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]thiourea
CID 17300942
(2S)-2-(azocan-1-yl)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 9460496

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-4-oxo-2-piperidin-1-yl-4-(4-propan-2-ylphenyl)butanamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-4-oxo-2-piperidin-1-yl-4-(4-propan-2-ylphenyl)butanamide (CID 90677121) is N-(3,5-dimethoxyphenyl)-4-oxo-2-piperidin-1-yl-4-(4-propan-2-ylphenyl)butanamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-4-oxo-2-piperidin-1-yl-4-(4-propan-2-ylphenyl)butanamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-4-oxo-2-piperidin-1-yl-4-(4-propan-2-ylphenyl)butanamide is COc1cc(NC(=O)C(CC(=O)c2ccc(C(C)C)cc2)N2CCCCC2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-4-oxo-2-piperidin-1-yl-4-(4-propan-2-ylphenyl)butanamide?
The InChIKey is MWQWDGHUAWKGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O4/c1-18(2)19-8-10-20(11-9-19)25(29)17-24(28-12-6-5-7-13-28)26(30)27-21-14-22(31-3)16-23(15-21)32-4/h8-11,14-16,18,24H,5-7,12-13,17H2,1-4H3,(H,27,30).
What are the key properties of N-(3,5-dimethoxyphenyl)-4-oxo-2-piperidin-1-yl-4-(4-propan-2-ylphenyl)butanamide?
N-(3,5-dimethoxyphenyl)-4-oxo-2-piperidin-1-yl-4-(4-propan-2-ylphenyl)butanamide has a molecular weight of 438.57 g/mol, XLogP of 4.89, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-4-oxo-2-piperidin-1-yl-4-(4-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 90677121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).