3-[(3S)-3-aminopiperidin-1-yl]-3-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one

C23H30N4O2 — CID 155515565

IUPAC3-[(3S)-3-aminopiperidin-1-yl]-3-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)C(C1CCCC1)(N1CCC[C@H](N)C1)C(=O)N2
InChIInChI=1S/C23H30N4O2/c1-14-21(15(2)29-26-14)16-9-10-20-19(12-16)23(22(28)25-20,17-6-3-4-7-17)27-11-5-8-18(24)13-27/h9-10,12,17-18H,3-8,11,13,24H2,1-2H3,(H,25,28)/t18-,23?/m0/s1
InChIKeyQTBZMJQWSAUTTA-XNUZUHMRSA-N
MW394.52 g/mol
LogP3.72
Rot. Bonds3

About 3-[(3S)-3-aminopiperidin-1-yl]-3-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one

3-[(3S)-3-aminopiperidin-1-yl]-3-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one (PubChem CID 155515565) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 3-[(3S)-3-aminopiperidin-1-yl]-3-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one.

Molecular Properties

Compound Name3-[(3S)-3-aminopiperidin-1-yl]-3-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one
PubChem CID155515565
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name3-[(3S)-3-aminopiperidin-1-yl]-3-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)C(C1CCCC1)(N1CCC[C@H](N)C1)C(=O)N2
InChIInChI=1S/C23H30N4O2/c1-14-21(15(2)29-26-14)16-9-10-20-19(12-16)23(22(28)25-20,17-6-3-4-7-17)27-11-5-8-18(24)13-27/h9-10,12,17-18H,3-8,11,13,24H2,1-2H3,(H,25,28)/t18-,23?/m0/s1
InChIKeyQTBZMJQWSAUTTA-XNUZUHMRSA-N
XLogP3.72
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-aminopiperidin-1-yl]-3-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one?
The IUPAC name of 3-[(3S)-3-aminopiperidin-1-yl]-3-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one (CID 155515565) is 3-[(3S)-3-aminopiperidin-1-yl]-3-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one.
What is the SMILES notation for 3-[(3S)-3-aminopiperidin-1-yl]-3-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one?
The canonical SMILES for 3-[(3S)-3-aminopiperidin-1-yl]-3-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one is Cc1noc(C)c1-c1ccc2c(c1)C(C1CCCC1)(N1CCC[C@H](N)C1)C(=O)N2.
What is the InChIKey of 3-[(3S)-3-aminopiperidin-1-yl]-3-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one?
The InChIKey is QTBZMJQWSAUTTA-XNUZUHMRSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-14-21(15(2)29-26-14)16-9-10-20-19(12-16)23(22(28)25-20,17-6-3-4-7-17)27-11-5-8-18(24)13-27/h9-10,12,17-18H,3-8,11,13,24H2,1-2H3,(H,25,28)/t18-,23?/m0/s1.
What are the key properties of 3-[(3S)-3-aminopiperidin-1-yl]-3-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one?
3-[(3S)-3-aminopiperidin-1-yl]-3-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one has a molecular weight of 394.52 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-aminopiperidin-1-yl]-3-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one is sourced from PubChem (CID 155515565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).