1-(oxolane-2-carbonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

C16H26N2O4 — CID 113003358

IUPAC1-(oxolane-2-carbonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCC1CCCO1)C1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C16H26N2O4/c19-15(17-11-13-3-1-9-21-13)12-5-7-18(8-6-12)16(20)14-4-2-10-22-14/h12-14H,1-11H2,(H,17,19)
InChIKeyUBJZOBKONLQKAO-UHFFFAOYSA-N
MW310.39 g/mol
LogP0.70
Rot. Bonds4

About 1-(oxolane-2-carbonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

1-(oxolane-2-carbonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 113003358) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is 1-(oxolane-2-carbonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(oxolane-2-carbonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID113003358
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name1-(oxolane-2-carbonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCC1CCCO1)C1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C16H26N2O4/c19-15(17-11-13-3-1-9-21-13)12-5-7-18(8-6-12)16(20)14-4-2-10-22-14/h12-14H,1-11H2,(H,17,19)
InChIKeyUBJZOBKONLQKAO-UHFFFAOYSA-N
XLogP0.70
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(morpholine-4-carbonyl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
CID 109146739
N-(oxolan-2-ylmethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 4131826
tert-butyl 4-[[(2R)-oxolan-2-yl]methylcarbamoyl]piperidine-1-carboxylate
CID 41242425
N-[[(2S)-oxolan-2-yl]methyl]-1-sulfamoylpiperidine-4-carboxamide
CID 95158485
N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 56862595
ethyl 4-[4-(oxolan-2-ylmethylcarbamoyl)cyclohexanecarbonyl]piperazine-1-carboxylate
CID 109146929
4-(4-methylpiperidine-1-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide
CID 95339170
N-(3-cyclopentyloxypropyl)-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxamide
CID 125438596
N-[(4-fluorophenyl)methyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113004216
1-(cyclohexylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 163326678
N-[[(2S)-oxolan-2-yl]methyl]-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 1082905
N-[[(2S)-oxolan-2-yl]methyl]-1-[1-(thian-4-yl)piperidin-4-yl]piperidine-4-carboxamide
CID 30869368

Frequently Asked Questions

What is the IUPAC name of 1-(oxolane-2-carbonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(oxolane-2-carbonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (CID 113003358) is 1-(oxolane-2-carbonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(oxolane-2-carbonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(oxolane-2-carbonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is O=C(NCC1CCCO1)C1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of 1-(oxolane-2-carbonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is UBJZOBKONLQKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c19-15(17-11-13-3-1-9-21-13)12-5-7-18(8-6-12)16(20)14-4-2-10-22-14/h12-14H,1-11H2,(H,17,19).
What are the key properties of 1-(oxolane-2-carbonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
1-(oxolane-2-carbonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 310.39 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolane-2-carbonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 113003358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).