1-[(2-hydroxyoxan-4-yl)methyl]piperidine-4-carboxamide

C12H22N2O3 — CID 141109300

IUPAC1-[(2-hydroxyoxan-4-yl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC2CCOC(O)C2)CC1
InChIInChI=1S/C12H22N2O3/c13-12(16)10-1-4-14(5-2-10)8-9-3-6-17-11(15)7-9/h9-11,15H,1-8H2,(H2,13,16)
InChIKeyWDSYGWMRKSIHKG-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.07
Rot. Bonds3

About 1-[(2-hydroxyoxan-4-yl)methyl]piperidine-4-carboxamide

1-[(2-hydroxyoxan-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 141109300) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[(2-hydroxyoxan-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-hydroxyoxan-4-yl)methyl]piperidine-4-carboxamide
PubChem CID141109300
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-[(2-hydroxyoxan-4-yl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC2CCOC(O)C2)CC1
InChIInChI=1S/C12H22N2O3/c13-12(16)10-1-4-14(5-2-10)8-9-3-6-17-11(15)7-9/h9-11,15H,1-8H2,(H2,13,16)
InChIKeyWDSYGWMRKSIHKG-UHFFFAOYSA-N
XLogP-0.07
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxan-4-ylmethyl)piperidine-4-carboxamide
CID 67032986
1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide
CID 678228
1-[(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidine-4-carboxamide
CID 166510915
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidine-4-carboxamide
CID 98109364
1-propylpiperidine-4-carboxamide
CID 18678413
1-[[(3R)-1-[[(3S)-piperidin-3-yl]methyl]pyrrolidin-3-yl]methyl]piperidine-4-carboxamide
CID 177096923
1-[2-oxo-2-(oxolan-3-yl)ethyl]piperidine-4-carboxamide
CID 104749892
benzene;1-ethylpiperidine-4-carboxamide
CID 91582947
1-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 139907414
1-(methoxymethyl)piperidine-4-carboxamide
CID 78225485
1-[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]piperidine-4-carboxamide
CID 175941734
3-(morpholin-4-ylmethyl)cyclopentane-1-carboxylic acid
CID 83821302

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxyoxan-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2-hydroxyoxan-4-yl)methyl]piperidine-4-carboxamide (CID 141109300) is 1-[(2-hydroxyoxan-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-hydroxyoxan-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-hydroxyoxan-4-yl)methyl]piperidine-4-carboxamide is NC(=O)C1CCN(CC2CCOC(O)C2)CC1.
What is the InChIKey of 1-[(2-hydroxyoxan-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is WDSYGWMRKSIHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c13-12(16)10-1-4-14(5-2-10)8-9-3-6-17-11(15)7-9/h9-11,15H,1-8H2,(H2,13,16).
What are the key properties of 1-[(2-hydroxyoxan-4-yl)methyl]piperidine-4-carboxamide?
1-[(2-hydroxyoxan-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 242.32 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxyoxan-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 141109300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).