N-[3-(hydroxymethyl)pentan-3-yl]-2-methylpiperidine-2-carboxamide

C13H26N2O2 — CID 113430829

IUPACN-[3-(hydroxymethyl)pentan-3-yl]-2-methylpiperidine-2-carboxamide
SMILESCCC(CC)(CO)NC(=O)C1(C)CCCCN1
InChIInChI=1S/C13H26N2O2/c1-4-13(5-2,10-16)15-11(17)12(3)8-6-7-9-14-12/h14,16H,4-10H2,1-3H3,(H,15,17)
InChIKeySVQJHBUHTUZOFG-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.19
Rot. Bonds5

About N-[3-(hydroxymethyl)pentan-3-yl]-2-methylpiperidine-2-carboxamide

N-[3-(hydroxymethyl)pentan-3-yl]-2-methylpiperidine-2-carboxamide (PubChem CID 113430829) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)pentan-3-yl]-2-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)pentan-3-yl]-2-methylpiperidine-2-carboxamide
PubChem CID113430829
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[3-(hydroxymethyl)pentan-3-yl]-2-methylpiperidine-2-carboxamide
SMILESCCC(CC)(CO)NC(=O)C1(C)CCCCN1
InChIInChI=1S/C13H26N2O2/c1-4-13(5-2,10-16)15-11(17)12(3)8-6-7-9-14-12/h14,16H,4-10H2,1-3H3,(H,15,17)
InChIKeySVQJHBUHTUZOFG-UHFFFAOYSA-N
XLogP1.19
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-2-methylpiperidine-2-carboxamide?
The IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-2-methylpiperidine-2-carboxamide (CID 113430829) is N-[3-(hydroxymethyl)pentan-3-yl]-2-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[3-(hydroxymethyl)pentan-3-yl]-2-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[3-(hydroxymethyl)pentan-3-yl]-2-methylpiperidine-2-carboxamide is CCC(CC)(CO)NC(=O)C1(C)CCCCN1.
What is the InChIKey of N-[3-(hydroxymethyl)pentan-3-yl]-2-methylpiperidine-2-carboxamide?
The InChIKey is SVQJHBUHTUZOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-13(5-2,10-16)15-11(17)12(3)8-6-7-9-14-12/h14,16H,4-10H2,1-3H3,(H,15,17).
What are the key properties of N-[3-(hydroxymethyl)pentan-3-yl]-2-methylpiperidine-2-carboxamide?
N-[3-(hydroxymethyl)pentan-3-yl]-2-methylpiperidine-2-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)pentan-3-yl]-2-methylpiperidine-2-carboxamide is sourced from PubChem (CID 113430829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).