4-(acetamidomethyl)-N-(oxolan-3-yl)piperidine-1-carboxamide

C13H23N3O3 — CID 103839211

IUPAC4-(acetamidomethyl)-N-(oxolan-3-yl)piperidine-1-carboxamide
SMILESCC(=O)NCC1CCN(C(=O)NC2CCOC2)CC1
InChIInChI=1S/C13H23N3O3/c1-10(17)14-8-11-2-5-16(6-3-11)13(18)15-12-4-7-19-9-12/h11-12H,2-9H2,1H3,(H,14,17)(H,15,18)
InChIKeyREXIIXLFNXAXQR-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.33
Rot. Bonds3

About 4-(acetamidomethyl)-N-(oxolan-3-yl)piperidine-1-carboxamide

4-(acetamidomethyl)-N-(oxolan-3-yl)piperidine-1-carboxamide (PubChem CID 103839211) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-(oxolan-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-(oxolan-3-yl)piperidine-1-carboxamide
PubChem CID103839211
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name4-(acetamidomethyl)-N-(oxolan-3-yl)piperidine-1-carboxamide
SMILESCC(=O)NCC1CCN(C(=O)NC2CCOC2)CC1
InChIInChI=1S/C13H23N3O3/c1-10(17)14-8-11-2-5-16(6-3-11)13(18)15-12-4-7-19-9-12/h11-12H,2-9H2,1H3,(H,14,17)(H,15,18)
InChIKeyREXIIXLFNXAXQR-UHFFFAOYSA-N
XLogP0.33
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-ethylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea
CID 113321980
4-ethyl-N-(oxan-4-yl)piperidine-1-carboxamide
CID 128942089
3,4-dimethyl-N-(oxolan-3-yl)piperidine-1-carboxamide
CID 115871728
methyl 3-[4-(oxolan-3-ylcarbamoyl)piperazin-1-yl]propanoate
CID 115536102
2-[1-(oxan-3-ylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63875942
N-[2-(oxolan-3-ylcarbamoylamino)ethyl]acetamide
CID 115759237
N-[[1-(N'-methylcarbamimidoyl)piperidin-4-yl]methyl]acetamide
CID 102736501
N-[(1-ethylpiperidin-4-yl)methyl]acetamide
CID 60968762
3-[1-(oxan-4-ylcarbamoyl)piperidin-4-yl]propanoic acid
CID 62216069
1-(1-acetylpiperidin-4-yl)-3-(oxan-4-ylmethyl)urea
CID 25072677
N-[[1-(4-methylpiperidine-1-carbonyl)piperidin-4-yl]methyl]acetamide
CID 102736162
3-[4-(acetamidomethyl)piperidin-1-yl]-3-oxopropanoic acid
CID 102736982

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-(oxolan-3-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(acetamidomethyl)-N-(oxolan-3-yl)piperidine-1-carboxamide (CID 103839211) is 4-(acetamidomethyl)-N-(oxolan-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-(oxolan-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(acetamidomethyl)-N-(oxolan-3-yl)piperidine-1-carboxamide is CC(=O)NCC1CCN(C(=O)NC2CCOC2)CC1.
What is the InChIKey of 4-(acetamidomethyl)-N-(oxolan-3-yl)piperidine-1-carboxamide?
The InChIKey is REXIIXLFNXAXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-10(17)14-8-11-2-5-16(6-3-11)13(18)15-12-4-7-19-9-12/h11-12H,2-9H2,1H3,(H,14,17)(H,15,18).
What are the key properties of 4-(acetamidomethyl)-N-(oxolan-3-yl)piperidine-1-carboxamide?
4-(acetamidomethyl)-N-(oxolan-3-yl)piperidine-1-carboxamide has a molecular weight of 269.34 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-(oxolan-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 103839211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).