(5S)-3-(cyclopropylamino)-5-hydroxy-N-(2-methylpropyl)piperidine-1-carboxamide

C13H25N3O2 — CID 171091862

IUPAC(5S)-3-(cyclopropylamino)-5-hydroxy-N-(2-methylpropyl)piperidine-1-carboxamide
SMILESCC(C)CNC(=O)N1CC(NC2CC2)C[C@H](O)C1
InChIInChI=1S/C13H25N3O2/c1-9(2)6-14-13(18)16-7-11(5-12(17)8-16)15-10-3-4-10/h9-12,15,17H,3-8H2,1-2H3,(H,14,18)/t11?,12-/m0/s1
InChIKeyQERLYWUVMBRXES-KIYNQFGBSA-N
MW255.36 g/mol
LogP0.54
Rot. Bonds4

About (5S)-3-(cyclopropylamino)-5-hydroxy-N-(2-methylpropyl)piperidine-1-carboxamide

(5S)-3-(cyclopropylamino)-5-hydroxy-N-(2-methylpropyl)piperidine-1-carboxamide (PubChem CID 171091862) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is (5S)-3-(cyclopropylamino)-5-hydroxy-N-(2-methylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(5S)-3-(cyclopropylamino)-5-hydroxy-N-(2-methylpropyl)piperidine-1-carboxamide
PubChem CID171091862
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name(5S)-3-(cyclopropylamino)-5-hydroxy-N-(2-methylpropyl)piperidine-1-carboxamide
SMILESCC(C)CNC(=O)N1CC(NC2CC2)C[C@H](O)C1
InChIInChI=1S/C13H25N3O2/c1-9(2)6-14-13(18)16-7-11(5-12(17)8-16)15-10-3-4-10/h9-12,15,17H,3-8H2,1-2H3,(H,14,18)/t11?,12-/m0/s1
InChIKeyQERLYWUVMBRXES-KIYNQFGBSA-N
XLogP0.54
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-(cyclopropylamino)-5-hydroxy-N-(2-methylpropyl)piperidine-1-carboxamide?
The IUPAC name of (5S)-3-(cyclopropylamino)-5-hydroxy-N-(2-methylpropyl)piperidine-1-carboxamide (CID 171091862) is (5S)-3-(cyclopropylamino)-5-hydroxy-N-(2-methylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for (5S)-3-(cyclopropylamino)-5-hydroxy-N-(2-methylpropyl)piperidine-1-carboxamide?
The canonical SMILES for (5S)-3-(cyclopropylamino)-5-hydroxy-N-(2-methylpropyl)piperidine-1-carboxamide is CC(C)CNC(=O)N1CC(NC2CC2)C[C@H](O)C1.
What is the InChIKey of (5S)-3-(cyclopropylamino)-5-hydroxy-N-(2-methylpropyl)piperidine-1-carboxamide?
The InChIKey is QERLYWUVMBRXES-KIYNQFGBSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-9(2)6-14-13(18)16-7-11(5-12(17)8-16)15-10-3-4-10/h9-12,15,17H,3-8H2,1-2H3,(H,14,18)/t11?,12-/m0/s1.
What are the key properties of (5S)-3-(cyclopropylamino)-5-hydroxy-N-(2-methylpropyl)piperidine-1-carboxamide?
(5S)-3-(cyclopropylamino)-5-hydroxy-N-(2-methylpropyl)piperidine-1-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(cyclopropylamino)-5-hydroxy-N-(2-methylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 171091862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).