N-ethyl-3-(hydroxymethyl)piperidine-1-carboxamide

C9H18N2O2 — CID 19261646

IUPACN-ethyl-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESCCNC(=O)N1CCCC(CO)C1
InChIInChI=1S/C9H18N2O2/c1-2-10-9(13)11-5-3-4-8(6-11)7-12/h8,12H,2-7H2,1H3,(H,10,13)
InChIKeySHCSIQIRXGRAJP-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.42
Rot. Bonds2

About N-ethyl-3-(hydroxymethyl)piperidine-1-carboxamide

N-ethyl-3-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 19261646) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N-ethyl-3-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID19261646
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN-ethyl-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESCCNC(=O)N1CCCC(CO)C1
InChIInChI=1S/C9H18N2O2/c1-2-10-9(13)11-5-3-4-8(6-11)7-12/h8,12H,2-7H2,1H3,(H,10,13)
InChIKeySHCSIQIRXGRAJP-UHFFFAOYSA-N
XLogP0.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-ethyl-3-(hydroxymethyl)piperidine-1-carboxamide (CID 19261646) is N-ethyl-3-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-ethyl-3-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-ethyl-3-(hydroxymethyl)piperidine-1-carboxamide is CCNC(=O)N1CCCC(CO)C1.
What is the InChIKey of N-ethyl-3-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is SHCSIQIRXGRAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-2-10-9(13)11-5-3-4-8(6-11)7-12/h8,12H,2-7H2,1H3,(H,10,13).
What are the key properties of N-ethyl-3-(hydroxymethyl)piperidine-1-carboxamide?
N-ethyl-3-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 186.25 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 19261646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).