N-(5-hydroxypentan-2-yl)-4-methylpiperidine-2-carboxamide

C12H24N2O2 — CID 114424286

IUPACN-(5-hydroxypentan-2-yl)-4-methylpiperidine-2-carboxamide
SMILESCC1CCNC(C(=O)NC(C)CCCO)C1
InChIInChI=1S/C12H24N2O2/c1-9-5-6-13-11(8-9)12(16)14-10(2)4-3-7-15/h9-11,13,15H,3-8H2,1-2H3,(H,14,16)
InChIKeyRJBKKEXSUVPOTH-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.65
Rot. Bonds5

About N-(5-hydroxypentan-2-yl)-4-methylpiperidine-2-carboxamide

N-(5-hydroxypentan-2-yl)-4-methylpiperidine-2-carboxamide (PubChem CID 114424286) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(5-hydroxypentan-2-yl)-4-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxypentan-2-yl)-4-methylpiperidine-2-carboxamide
PubChem CID114424286
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(5-hydroxypentan-2-yl)-4-methylpiperidine-2-carboxamide
SMILESCC1CCNC(C(=O)NC(C)CCCO)C1
InChIInChI=1S/C12H24N2O2/c1-9-5-6-13-11(8-9)12(16)14-10(2)4-3-7-15/h9-11,13,15H,3-8H2,1-2H3,(H,14,16)
InChIKeyRJBKKEXSUVPOTH-UHFFFAOYSA-N
XLogP0.65
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentan-2-yl)-4-methylpiperidine-2-carboxamide?
The IUPAC name of N-(5-hydroxypentan-2-yl)-4-methylpiperidine-2-carboxamide (CID 114424286) is N-(5-hydroxypentan-2-yl)-4-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(5-hydroxypentan-2-yl)-4-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(5-hydroxypentan-2-yl)-4-methylpiperidine-2-carboxamide is CC1CCNC(C(=O)NC(C)CCCO)C1.
What is the InChIKey of N-(5-hydroxypentan-2-yl)-4-methylpiperidine-2-carboxamide?
The InChIKey is RJBKKEXSUVPOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9-5-6-13-11(8-9)12(16)14-10(2)4-3-7-15/h9-11,13,15H,3-8H2,1-2H3,(H,14,16).
What are the key properties of N-(5-hydroxypentan-2-yl)-4-methylpiperidine-2-carboxamide?
N-(5-hydroxypentan-2-yl)-4-methylpiperidine-2-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentan-2-yl)-4-methylpiperidine-2-carboxamide is sourced from PubChem (CID 114424286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).