4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-oxobutanamide

C27H32N2O3 — CID 60621736

IUPAC4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-oxobutanamide
SMILESCC1CC(C)CN(C(=O)c2ccccc2NC(=O)CCC(=O)c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C27H32N2O3/c1-18-14-19(2)17-29(16-18)27(32)23-8-3-4-9-24(23)28-26(31)13-12-25(30)22-11-10-20-6-5-7-21(20)15-22/h3-4,8-11,15,18-19H,5-7,12-14,16-17H2,1-2H3,(H,28,31)
InChIKeyZDOLJTPDTJIVNZ-UHFFFAOYSA-N
MW432.56 g/mol
LogP4.89
Rot. Bonds6

About 4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-oxobutanamide

4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-oxobutanamide (PubChem CID 60621736) has the molecular formula C27H32N2O3 and a molecular weight of 432.56 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-oxobutanamide
PubChem CID60621736
Molecular FormulaC27H32N2O3
Molecular Weight432.56 g/mol
Exact Mass432.24
IUPAC Name4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-oxobutanamide
SMILESCC1CC(C)CN(C(=O)c2ccccc2NC(=O)CCC(=O)c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C27H32N2O3/c1-18-14-19(2)17-29(16-18)27(32)23-8-3-4-9-24(23)28-26(31)13-12-25(30)22-11-10-20-6-5-7-21(20)15-22/h3-4,8-11,15,18-19H,5-7,12-14,16-17H2,1-2H3,(H,28,31)
InChIKeyZDOLJTPDTJIVNZ-UHFFFAOYSA-N
XLogP4.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.56
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]propanamide
CID 60553577
2-[2-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]phenyl]acetic acid
CID 119353174
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119717948
methyl 3-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]-2-hydroxybenzoate
CID 56543054
N-[3-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 55677137
4-(2,3-dihydro-1H-inden-5-yl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-oxobutanamide
CID 55710907
N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 55924559
N-[2-(ethylaminomethyl)phenyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 119440729
4-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 102554567
4-(4-fluorophenyl)-4-oxo-N-[2-(piperidine-1-carbonyl)phenyl]butanamide
CID 35274501
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate
CID 29318600
N-[2-[2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]-2-oxoethyl]-2-phenylacetamide
CID 51942969

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-oxobutanamide?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-oxobutanamide (CID 60621736) is 4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-oxobutanamide.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-oxobutanamide?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-oxobutanamide is CC1CC(C)CN(C(=O)c2ccccc2NC(=O)CCC(=O)c2ccc3c(c2)CCC3)C1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-oxobutanamide?
The InChIKey is ZDOLJTPDTJIVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O3/c1-18-14-19(2)17-29(16-18)27(32)23-8-3-4-9-24(23)28-26(31)13-12-25(30)22-11-10-20-6-5-7-21(20)15-22/h3-4,8-11,15,18-19H,5-7,12-14,16-17H2,1-2H3,(H,28,31).
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-oxobutanamide?
4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-oxobutanamide has a molecular weight of 432.56 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-oxobutanamide is sourced from PubChem (CID 60621736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).