2-(cyclopentylamino)-N-[(2S)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]acetamide

C32H42N4O3 — CID 90096769

IUPAC2-(cyclopentylamino)-N-[(2S)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]acetamide
SMILESCC1(C)C(=O)N(C2CCN(C(=O)[C@H](CCc3ccccc3)NC(=O)CNC3CCCC3)CC2)c2ccccc21
InChIInChI=1S/C32H42N4O3/c1-32(2)26-14-8-9-15-28(26)36(31(32)39)25-18-20-35(21-19-25)30(38)27(17-16-23-10-4-3-5-11-23)34-29(37)22-33-24-12-6-7-13-24/h3-5,8-11,14-15,24-25,27,33H,6-7,12-13,16-22H2,1-2H3,(H,34,37)/t27-/m0/s1
InChIKeyWGLVBJZQIDPVRG-MHZLTWQESA-N
MW530.71 g/mol
LogP3.95
Rot. Bonds9

About 2-(cyclopentylamino)-N-[(2S)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]acetamide

2-(cyclopentylamino)-N-[(2S)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]acetamide (PubChem CID 90096769) has the molecular formula C32H42N4O3 and a molecular weight of 530.71 g/mol. Its IUPAC name is 2-(cyclopentylamino)-N-[(2S)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(cyclopentylamino)-N-[(2S)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]acetamide
PubChem CID90096769
Molecular FormulaC32H42N4O3
Molecular Weight530.71 g/mol
Exact Mass530.33
IUPAC Name2-(cyclopentylamino)-N-[(2S)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]acetamide
SMILESCC1(C)C(=O)N(C2CCN(C(=O)[C@H](CCc3ccccc3)NC(=O)CNC3CCCC3)CC2)c2ccccc21
InChIInChI=1S/C32H42N4O3/c1-32(2)26-14-8-9-15-28(26)36(31(32)39)25-18-20-35(21-19-25)30(38)27(17-16-23-10-4-3-5-11-23)34-29(37)22-33-24-12-6-7-13-24/h3-5,8-11,14-15,24-25,27,33H,6-7,12-13,16-22H2,1-2H3,(H,34,37)/t27-/m0/s1
InChIKeyWGLVBJZQIDPVRG-MHZLTWQESA-N
XLogP3.95
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.71
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-N-[(2S)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]acetamide?
The IUPAC name of 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) is 2-(cyclopentylamino)-N-[(2S)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(cyclopentylamino)-N-[(2S)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-(cyclopentylamino)-N-[(2S)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]acetamide is CC1(C)C(=O)N(C2CCN(C(=O)[C@H](CCc3ccccc3)NC(=O)CNC3CCCC3)CC2)c2ccccc21.
What is the InChIKey of 2-(cyclopentylamino)-N-[(2S)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]acetamide?
The InChIKey is WGLVBJZQIDPVRG-MHZLTWQESA-N. The full InChI is InChI=1S/C32H42N4O3/c1-32(2)26-14-8-9-15-28(26)36(31(32)39)25-18-20-35(21-19-25)30(38)27(17-16-23-10-4-3-5-11-23)34-29(37)22-33-24-12-6-7-13-24/h3-5,8-11,14-15,24-25,27,33H,6-7,12-13,16-22H2,1-2H3,(H,34,37)/t27-/m0/s1.
What are the key properties of 2-(cyclopentylamino)-N-[(2S)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]acetamide?
2-(cyclopentylamino)-N-[(2S)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]acetamide has a molecular weight of 530.71 g/mol, XLogP of 3.95, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-N-[(2S)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 90096769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).