N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide

C26H31N3O3 — CID 25486470

IUPACN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
SMILESO=C(CN1CCC(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)CC1)Nc1ccccc1
InChIInChI=1S/C26H31N3O3/c30-24(21-10-9-19-5-4-6-20(19)17-21)11-12-25(31)27-23-13-15-29(16-14-23)18-26(32)28-22-7-2-1-3-8-22/h1-3,7-10,17,23H,4-6,11-16,18H2,(H,27,31)(H,28,32)
InChIKeyGXWKRKBAHPVTNW-UHFFFAOYSA-N
MW433.55 g/mol
LogP3.36
Rot. Bonds8

About N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide (PubChem CID 25486470) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
PubChem CID25486470
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
SMILESO=C(CN1CCC(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)CC1)Nc1ccccc1
InChIInChI=1S/C26H31N3O3/c30-24(21-10-9-19-5-4-6-20(19)17-21)11-12-25(31)27-23-13-15-29(16-14-23)18-26(32)28-22-7-2-1-3-8-22/h1-3,7-10,17,23H,4-6,11-16,18H2,(H,27,31)(H,28,32)
InChIKeyGXWKRKBAHPVTNW-UHFFFAOYSA-N
XLogP3.36
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide with MolForge

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Related Compounds

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 29326253
N-(1-benzylpyrrolidin-3-yl)-4-oxo-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanamide
CID 21108392
4-(2,3-dihydro-1H-inden-5-yl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-oxobutanamide
CID 55710907
4-(2,3-dihydro-1H-inden-5-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-oxobutanamide
CID 46510369
4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119840358
N-cyclohexyl-4-oxo-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanamide
CID 21108450
4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]pentanamide
CID 120564436
4-oxo-N-piperidin-4-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide;hydrochloride
CID 119390143
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 16589812
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 119455927
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 112804072
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclohexanecarboxamide
CID 3220728

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide?
The IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide (CID 25486470) is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide.
What is the SMILES notation for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide?
The canonical SMILES for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide is O=C(CN1CCC(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)CC1)Nc1ccccc1.
What is the InChIKey of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide?
The InChIKey is GXWKRKBAHPVTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c30-24(21-10-9-19-5-4-6-20(19)17-21)11-12-25(31)27-23-13-15-29(16-14-23)18-26(32)28-22-7-2-1-3-8-22/h1-3,7-10,17,23H,4-6,11-16,18H2,(H,27,31)(H,28,32).
What are the key properties of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide?
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide has a molecular weight of 433.55 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide is sourced from PubChem (CID 25486470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).