3-(hydroxymethyl)-N-methylpiperidine-1-carboxamide

C8H16N2O2 — CID 89332157

IUPAC3-(hydroxymethyl)-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCCC(CO)C1
InChIInChI=1S/C8H16N2O2/c1-9-8(12)10-4-2-3-7(5-10)6-11/h7,11H,2-6H2,1H3,(H,9,12)
InChIKeyNYOLTTAKGHYOSZ-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.03
Rot. Bonds1

About 3-(hydroxymethyl)-N-methylpiperidine-1-carboxamide

3-(hydroxymethyl)-N-methylpiperidine-1-carboxamide (PubChem CID 89332157) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-methylpiperidine-1-carboxamide
PubChem CID89332157
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name3-(hydroxymethyl)-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCCC(CO)C1
InChIInChI=1S/C8H16N2O2/c1-9-8(12)10-4-2-3-7(5-10)6-11/h7,11H,2-6H2,1H3,(H,9,12)
InChIKeyNYOLTTAKGHYOSZ-UHFFFAOYSA-N
XLogP0.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-methylpiperidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-methylpiperidine-1-carboxamide (CID 89332157) is 3-(hydroxymethyl)-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-methylpiperidine-1-carboxamide is CNC(=O)N1CCCC(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)-N-methylpiperidine-1-carboxamide?
The InChIKey is NYOLTTAKGHYOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-9-8(12)10-4-2-3-7(5-10)6-11/h7,11H,2-6H2,1H3,(H,9,12).
What are the key properties of 3-(hydroxymethyl)-N-methylpiperidine-1-carboxamide?
3-(hydroxymethyl)-N-methylpiperidine-1-carboxamide has a molecular weight of 172.23 g/mol, XLogP of 0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 89332157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).