(3S)-3-hydroxy-1-[2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide

C11H23N3O2 — CID 129322827

IUPAC(3S)-3-hydroxy-1-[2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide
SMILESCC(C)NCCN1CCC[C@@](O)(C(N)=O)C1
InChIInChI=1S/C11H23N3O2/c1-9(2)13-5-7-14-6-3-4-11(16,8-14)10(12)15/h9,13,16H,3-8H2,1-2H3,(H2,12,15)/t11-/m0/s1
InChIKeyXIWHLVOIWJNADV-NSHDSACASA-N
MW229.32 g/mol
LogP-0.70
Rot. Bonds5

About (3S)-3-hydroxy-1-[2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide

(3S)-3-hydroxy-1-[2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide (PubChem CID 129322827) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is (3S)-3-hydroxy-1-[2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-3-hydroxy-1-[2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide
PubChem CID129322827
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name(3S)-3-hydroxy-1-[2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide
SMILESCC(C)NCCN1CCC[C@@](O)(C(N)=O)C1
InChIInChI=1S/C11H23N3O2/c1-9(2)13-5-7-14-6-3-4-11(16,8-14)10(12)15/h9,13,16H,3-8H2,1-2H3,(H2,12,15)/t11-/m0/s1
InChIKeyXIWHLVOIWJNADV-NSHDSACASA-N
XLogP-0.70
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-1-[2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-3-hydroxy-1-[2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide (CID 129322827) is (3S)-3-hydroxy-1-[2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-3-hydroxy-1-[2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-3-hydroxy-1-[2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide is CC(C)NCCN1CCC[C@@](O)(C(N)=O)C1.
What is the InChIKey of (3S)-3-hydroxy-1-[2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide?
The InChIKey is XIWHLVOIWJNADV-NSHDSACASA-N. The full InChI is InChI=1S/C11H23N3O2/c1-9(2)13-5-7-14-6-3-4-11(16,8-14)10(12)15/h9,13,16H,3-8H2,1-2H3,(H2,12,15)/t11-/m0/s1.
What are the key properties of (3S)-3-hydroxy-1-[2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide?
(3S)-3-hydroxy-1-[2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide has a molecular weight of 229.32 g/mol, XLogP of -0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-1-[2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 129322827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).