1-(oxan-4-ylmethyl)piperidine-4-carboxamide

C12H22N2O2 — CID 67032986

IUPAC1-(oxan-4-ylmethyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC2CCOCC2)CC1
InChIInChI=1S/C12H22N2O2/c13-12(15)11-1-5-14(6-2-11)9-10-3-7-16-8-4-10/h10-11H,1-9H2,(H2,13,15)
InChIKeyVPYRZXODIGYQJH-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.61
Rot. Bonds3

About 1-(oxan-4-ylmethyl)piperidine-4-carboxamide

1-(oxan-4-ylmethyl)piperidine-4-carboxamide (PubChem CID 67032986) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(oxan-4-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(oxan-4-ylmethyl)piperidine-4-carboxamide
PubChem CID67032986
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-(oxan-4-ylmethyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC2CCOCC2)CC1
InChIInChI=1S/C12H22N2O2/c13-12(15)11-1-5-14(6-2-11)9-10-3-7-16-8-4-10/h10-11H,1-9H2,(H2,13,15)
InChIKeyVPYRZXODIGYQJH-UHFFFAOYSA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-hydroxyoxan-4-yl)methyl]piperidine-4-carboxamide
CID 141109300
4-(oxan-4-ylmethyl)morpholine
CID 122244931
oxane-4-carboxamide
CID 13197203
methyl 1-(oxan-4-ylmethyl)pyrrolidine-3-carboxylate
CID 78957764
[1-(oxan-4-ylmethyl)piperidin-4-yl]methanamine;dihydrochloride
CID 53256412
1-[2-oxo-2-(oxolan-3-yl)ethyl]piperidine-4-carboxamide
CID 104749892
1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide
CID 678228
4-methyl-1-(oxan-4-ylmethyl)piperidine-4-carbothioamide
CID 107161634
1-(oxan-4-ylmethyl)piperidine-3,4-dicarboxylic acid
CID 112568256
2-[4-(oxan-4-ylmethyl)piperazin-1-yl]ethanamine
CID 62385284
4-tert-butyl-1-(oxan-4-ylmethyl)piperidine
CID 59743823
cyclopropyl-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 60773958

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(oxan-4-ylmethyl)piperidine-4-carboxamide (CID 67032986) is 1-(oxan-4-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(oxan-4-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(oxan-4-ylmethyl)piperidine-4-carboxamide is NC(=O)C1CCN(CC2CCOCC2)CC1.
What is the InChIKey of 1-(oxan-4-ylmethyl)piperidine-4-carboxamide?
The InChIKey is VPYRZXODIGYQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c13-12(15)11-1-5-14(6-2-11)9-10-3-7-16-8-4-10/h10-11H,1-9H2,(H2,13,15).
What are the key properties of 1-(oxan-4-ylmethyl)piperidine-4-carboxamide?
1-(oxan-4-ylmethyl)piperidine-4-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 67032986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).