2-[(3S,5R)-3-amino-5-hydroxypiperidine-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one

C15H21N3O3 — CID 146039153

IUPAC2-[(3S,5R)-3-amino-5-hydroxypiperidine-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one
SMILESCc1c(C(=O)N2C[C@@H](N)C[C@@H](O)C2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C15H21N3O3/c1-8-13-11(3-2-4-12(13)20)17-14(8)15(21)18-6-9(16)5-10(19)7-18/h9-10,17,19H,2-7,16H2,1H3/t9-,10+/m0/s1
InChIKeyRTODOQRCNIEJEC-VHSXEESVSA-N
MW291.35 g/mol
LogP0.38
Rot. Bonds1

About 2-[(3S,5R)-3-amino-5-hydroxypiperidine-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one

2-[(3S,5R)-3-amino-5-hydroxypiperidine-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one (PubChem CID 146039153) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[(3S,5R)-3-amino-5-hydroxypiperidine-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one.

Molecular Properties

Compound Name2-[(3S,5R)-3-amino-5-hydroxypiperidine-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one
PubChem CID146039153
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[(3S,5R)-3-amino-5-hydroxypiperidine-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one
SMILESCc1c(C(=O)N2C[C@@H](N)C[C@@H](O)C2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C15H21N3O3/c1-8-13-11(3-2-4-12(13)20)17-14(8)15(21)18-6-9(16)5-10(19)7-18/h9-10,17,19H,2-7,16H2,1H3/t9-,10+/m0/s1
InChIKeyRTODOQRCNIEJEC-VHSXEESVSA-N
XLogP0.38
TPSA99.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S,5R)-3-amino-5-hydroxypiperidine-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one?
The IUPAC name of 2-[(3S,5R)-3-amino-5-hydroxypiperidine-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one (CID 146039153) is 2-[(3S,5R)-3-amino-5-hydroxypiperidine-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one.
What is the SMILES notation for 2-[(3S,5R)-3-amino-5-hydroxypiperidine-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one?
The canonical SMILES for 2-[(3S,5R)-3-amino-5-hydroxypiperidine-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one is Cc1c(C(=O)N2C[C@@H](N)C[C@@H](O)C2)[nH]c2c1C(=O)CCC2.
What is the InChIKey of 2-[(3S,5R)-3-amino-5-hydroxypiperidine-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one?
The InChIKey is RTODOQRCNIEJEC-VHSXEESVSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-8-13-11(3-2-4-12(13)20)17-14(8)15(21)18-6-9(16)5-10(19)7-18/h9-10,17,19H,2-7,16H2,1H3/t9-,10+/m0/s1.
What are the key properties of 2-[(3S,5R)-3-amino-5-hydroxypiperidine-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one?
2-[(3S,5R)-3-amino-5-hydroxypiperidine-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one has a molecular weight of 291.35 g/mol, XLogP of 0.38, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,5R)-3-amino-5-hydroxypiperidine-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one is sourced from PubChem (CID 146039153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).