N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-4-oxo-4-phenylbutanamide

C25H30N2O2 — CID 26326531

IUPACN-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-4-oxo-4-phenylbutanamide
SMILESCN(C(=O)CCC(=O)c1ccccc1)[C@H]1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C25H30N2O2/c1-26(25(29)14-13-24(28)19-8-3-2-4-9-19)22-12-7-15-27(18-22)23-16-20-10-5-6-11-21(20)17-23/h2-6,8-11,22-23H,7,12-18H2,1H3/t22-/m0/s1
InChIKeyFXQKXGQFTUHYAU-QFIPXVFZSA-N
MW390.53 g/mol
LogP3.74
Rot. Bonds6

About N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-4-oxo-4-phenylbutanamide

N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-4-oxo-4-phenylbutanamide (PubChem CID 26326531) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-4-oxo-4-phenylbutanamide
PubChem CID26326531
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC NameN-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-4-oxo-4-phenylbutanamide
SMILESCN(C(=O)CCC(=O)c1ccccc1)[C@H]1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C25H30N2O2/c1-26(25(29)14-13-24(28)19-8-3-2-4-9-19)22-12-7-15-27(18-22)23-16-20-10-5-6-11-21(20)17-23/h2-6,8-11,22-23H,7,12-18H2,1H3/t22-/m0/s1
InChIKeyFXQKXGQFTUHYAU-QFIPXVFZSA-N
XLogP3.74
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-4-oxo-4-phenylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-1-methyl-3-phenylurea
CID 95724999
N-[2-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-methylamino]-2-oxoethyl]-2-methylpropanamide
CID 95874159
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-2-pyridin-2-ylsulfanylacetamide
CID 45197169
N'-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N'-methyl-N-propan-2-yloxamide
CID 95715305
N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-4-ethenyl-N-methylbenzamide
CID 42214630
N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-1-phenylpyrazole-4-carboxamide
CID 42344868
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-2-quinazolin-4-yloxyacetamide
CID 45200689
N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 25310154
4-(4-methoxyphenyl)-N-methyl-4-oxo-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]butanamide
CID 26319728
N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-(4-oxo-4-phenylbutanoyl)piperidin-3-yl]propanamide
CID 45168903
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-1,3-benzothiazole-5-carboxamide
CID 56853456
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-2-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 45212790

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-4-oxo-4-phenylbutanamide?
The IUPAC name of N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-4-oxo-4-phenylbutanamide (CID 26326531) is N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-4-oxo-4-phenylbutanamide?
The canonical SMILES for N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-4-oxo-4-phenylbutanamide is CN(C(=O)CCC(=O)c1ccccc1)[C@H]1CCCN(C2Cc3ccccc3C2)C1.
What is the InChIKey of N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-4-oxo-4-phenylbutanamide?
The InChIKey is FXQKXGQFTUHYAU-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-26(25(29)14-13-24(28)19-8-3-2-4-9-19)22-12-7-15-27(18-22)23-16-20-10-5-6-11-21(20)17-23/h2-6,8-11,22-23H,7,12-18H2,1H3/t22-/m0/s1.
What are the key properties of N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-4-oxo-4-phenylbutanamide?
N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-4-oxo-4-phenylbutanamide has a molecular weight of 390.53 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 26326531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).