N-[1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]piperidine-3-carboxamide

C31H40N4O3 — CID 66616043

IUPACN-[1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]piperidine-3-carboxamide
SMILESCC1(C)C(=O)N(C2CCN(C(=O)C(CCc3ccccc3)NC(=O)C3CCCNC3)CC2)c2ccccc21
InChIInChI=1S/C31H40N4O3/c1-31(2)25-12-6-7-13-27(25)35(30(31)38)24-16-19-34(20-17-24)29(37)26(15-14-22-9-4-3-5-10-22)33-28(36)23-11-8-18-32-21-23/h3-7,9-10,12-13,23-24,26,32H,8,11,14-21H2,1-2H3,(H,33,36)
InChIKeySUJQKAFVJRKOOT-UHFFFAOYSA-N
MW516.69 g/mol
LogP3.42
Rot. Bonds7

About N-[1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]piperidine-3-carboxamide

N-[1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]piperidine-3-carboxamide (PubChem CID 66616043) has the molecular formula C31H40N4O3 and a molecular weight of 516.69 g/mol. Its IUPAC name is N-[1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]piperidine-3-carboxamide
PubChem CID66616043
Molecular FormulaC31H40N4O3
Molecular Weight516.69 g/mol
Exact Mass516.31
IUPAC NameN-[1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]piperidine-3-carboxamide
SMILESCC1(C)C(=O)N(C2CCN(C(=O)C(CCc3ccccc3)NC(=O)C3CCCNC3)CC2)c2ccccc21
InChIInChI=1S/C31H40N4O3/c1-31(2)25-12-6-7-13-27(25)35(30(31)38)24-16-19-34(20-17-24)29(37)26(15-14-22-9-4-3-5-10-22)33-28(36)23-11-8-18-32-21-23/h3-7,9-10,12-13,23-24,26,32H,8,11,14-21H2,1-2H3,(H,33,36)
InChIKeySUJQKAFVJRKOOT-UHFFFAOYSA-N
XLogP3.42
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.69
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-N-[(2S)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]piperidine-3-carboxamide;phosphoric acid
CID 175854080
N-[1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]piperidine-3-carboxamide;ethanesulfonic acid
CID 175524863
(3R)-N-[1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]piperidine-3-carboxamide;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 175524850
(3R)-N-[(2S)-3-(2-chlorophenyl)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 66616038
(3R)-N-[(2S)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-3-(3-fluorophenyl)-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 66616107
1-[1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]-3-pyrrolidin-3-ylurea
CID 66616101
(3S)-N-[(2R)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]-N-methylpiperidine-3-carboxamide
CID 123236192
2-(cyclopentylamino)-N-[(2S)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]acetamide
CID 90096769
1-(2-amino-2-methylpropyl)-3-[1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]urea
CID 66616015
N-[(2S)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]-3-methyl-3-(methylamino)butanamide
CID 46913555
cis-(1S,3R)-N-[1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-3-(methylamino)cyclopentane-1-carboxamide
CID 66616028
cis-(1S,3R)-N-[1-[4-(5-fluoro-3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]-3-(methylamino)cyclopentane-1-carboxamide
CID 66616007

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]piperidine-3-carboxamide?
The IUPAC name of N-[1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]piperidine-3-carboxamide (CID 66616043) is N-[1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-[1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for N-[1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]piperidine-3-carboxamide is CC1(C)C(=O)N(C2CCN(C(=O)C(CCc3ccccc3)NC(=O)C3CCCNC3)CC2)c2ccccc21.
What is the InChIKey of N-[1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]piperidine-3-carboxamide?
The InChIKey is SUJQKAFVJRKOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N4O3/c1-31(2)25-12-6-7-13-27(25)35(30(31)38)24-16-19-34(20-17-24)29(37)26(15-14-22-9-4-3-5-10-22)33-28(36)23-11-8-18-32-21-23/h3-7,9-10,12-13,23-24,26,32H,8,11,14-21H2,1-2H3,(H,33,36).
What are the key properties of N-[1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]piperidine-3-carboxamide?
N-[1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]piperidine-3-carboxamide has a molecular weight of 516.69 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 66616043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).