4-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]oxolane-3-carboxamide

C13H24N4O3 — CID 66240226

IUPAC4-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]oxolane-3-carboxamide
SMILESCNC(=O)CN1CCC(NC(=O)C2COCC2N)CC1
InChIInChI=1S/C13H24N4O3/c1-15-12(18)6-17-4-2-9(3-5-17)16-13(19)10-7-20-8-11(10)14/h9-11H,2-8,14H2,1H3,(H,15,18)(H,16,19)
InChIKeyCTFYIOPEHVKXNA-UHFFFAOYSA-N
MW284.36 g/mol
LogP-1.71
Rot. Bonds4

About 4-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]oxolane-3-carboxamide

4-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]oxolane-3-carboxamide (PubChem CID 66240226) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]oxolane-3-carboxamide
PubChem CID66240226
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Name4-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]oxolane-3-carboxamide
SMILESCNC(=O)CN1CCC(NC(=O)C2COCC2N)CC1
InChIInChI=1S/C13H24N4O3/c1-15-12(18)6-17-4-2-9(3-5-17)16-13(19)10-7-20-8-11(10)14/h9-11H,2-8,14H2,1H3,(H,15,18)(H,16,19)
InChIKeyCTFYIOPEHVKXNA-UHFFFAOYSA-N
XLogP-1.71
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 5-1.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(1-ethylpiperidin-4-yl)oxolane-3-carboxamide
CID 66238269
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]acetamide
CID 43704790
4-amino-N-cycloheptyloxolane-3-carboxamide
CID 66240800
2,2-dimethyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide
CID 60751395
4-amino-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]butanamide
CID 81075421
N-methyl-2-[(3S)-3-(methylamino)pyrrolidin-1-yl]acetamide
CID 170394930
3-(cyclopropylamino)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide
CID 60866717
(2R,6R)-2,6-dimethyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]morpholine-4-carboxamide
CID 95287047
1-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119853481
2-(azetidin-3-yl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]acetamide
CID 64617968
2-(aminomethyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pentanamide
CID 65225141
2-[(3R)-3-aminopyrrolidin-1-yl]-N-methylacetamide
CID 94340497

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]oxolane-3-carboxamide (CID 66240226) is 4-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]oxolane-3-carboxamide is CNC(=O)CN1CCC(NC(=O)C2COCC2N)CC1.
What is the InChIKey of 4-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]oxolane-3-carboxamide?
The InChIKey is CTFYIOPEHVKXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-15-12(18)6-17-4-2-9(3-5-17)16-13(19)10-7-20-8-11(10)14/h9-11H,2-8,14H2,1H3,(H,15,18)(H,16,19).
What are the key properties of 4-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]oxolane-3-carboxamide?
4-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]oxolane-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of -1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]oxolane-3-carboxamide is sourced from PubChem (CID 66240226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).