3-(hydroxymethyl)-N-propan-2-ylpiperidine-1-carboxamide

C10H20N2O2 — CID 43589574

IUPAC3-(hydroxymethyl)-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCCC(CO)C1
InChIInChI=1S/C10H20N2O2/c1-8(2)11-10(14)12-5-3-4-9(6-12)7-13/h8-9,13H,3-7H2,1-2H3,(H,11,14)
InChIKeyGXIYZXIIGKZYLT-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.81
Rot. Bonds2

About 3-(hydroxymethyl)-N-propan-2-ylpiperidine-1-carboxamide

3-(hydroxymethyl)-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 43589574) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID43589574
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-(hydroxymethyl)-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCCC(CO)C1
InChIInChI=1S/C10H20N2O2/c1-8(2)11-10(14)12-5-3-4-9(6-12)7-13/h8-9,13H,3-7H2,1-2H3,(H,11,14)
InChIKeyGXIYZXIIGKZYLT-UHFFFAOYSA-N
XLogP0.81
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-propan-2-ylpiperidine-1-carboxamide (CID 43589574) is 3-(hydroxymethyl)-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-propan-2-ylpiperidine-1-carboxamide is CC(C)NC(=O)N1CCCC(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is GXIYZXIIGKZYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(2)11-10(14)12-5-3-4-9(6-12)7-13/h8-9,13H,3-7H2,1-2H3,(H,11,14).
What are the key properties of 3-(hydroxymethyl)-N-propan-2-ylpiperidine-1-carboxamide?
3-(hydroxymethyl)-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 200.28 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 43589574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).