N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(methylamino)oxolane-3-carboxamide

C14H27N3O2 — CID 107163991

IUPACN-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)NCC1(C)CCN(C)CC1
InChIInChI=1S/C14H27N3O2/c1-14(4-6-17(3)7-5-14)10-16-13(18)11-8-19-9-12(11)15-2/h11-12,15H,4-10H2,1-3H3,(H,16,18)
InChIKeyKBOLPIWNBZGZPO-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.07
Rot. Bonds4

About N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(methylamino)oxolane-3-carboxamide

N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(methylamino)oxolane-3-carboxamide (PubChem CID 107163991) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(methylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(methylamino)oxolane-3-carboxamide
PubChem CID107163991
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)NCC1(C)CCN(C)CC1
InChIInChI=1S/C14H27N3O2/c1-14(4-6-17(3)7-5-14)10-16-13(18)11-8-19-9-12(11)15-2/h11-12,15H,4-10H2,1-3H3,(H,16,18)
InChIKeyKBOLPIWNBZGZPO-UHFFFAOYSA-N
XLogP0.07
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methylamino)-N-[(2-methylthiolan-2-yl)methyl]oxolane-3-carboxamide
CID 80736421
N-[(1-methylcyclopentyl)methyl]-4-(propylamino)oxolane-3-carboxamide
CID 66257137
2-[1-[[[4-(methylamino)oxolane-3-carbonyl]amino]methyl]cyclobutyl]acetic acid
CID 81161098
N-(2,3-dimethylbutyl)-4-(methylamino)oxolane-3-carboxamide
CID 66267245
4-(methylamino)-N-(2-piperidin-1-ylpropyl)oxolane-3-carboxamide
CID 66267013
N-hexyl-4-(methylamino)oxolane-3-carboxamide
CID 66266175
3-[(1,4-dimethylpiperidin-4-yl)methyl]-1,1-dimethylurea
CID 103993093
3-[(1,4-dimethylpiperidin-4-yl)methylamino]-3-oxopropanoic acid
CID 104889410
4-(methylamino)-N-piperidin-1-yloxolane-3-carboxamide
CID 83021088
(2S)-2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methylpentanamide
CID 107163870
N-[2-(ethylsulfamoyl)ethyl]-4-(methylamino)oxolane-3-carboxamide
CID 106337013
3-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 107164990

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(methylamino)oxolane-3-carboxamide?
The IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(methylamino)oxolane-3-carboxamide (CID 107163991) is N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(methylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(methylamino)oxolane-3-carboxamide?
The canonical SMILES for N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(methylamino)oxolane-3-carboxamide is CNC1COCC1C(=O)NCC1(C)CCN(C)CC1.
What is the InChIKey of N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(methylamino)oxolane-3-carboxamide?
The InChIKey is KBOLPIWNBZGZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-14(4-6-17(3)7-5-14)10-16-13(18)11-8-19-9-12(11)15-2/h11-12,15H,4-10H2,1-3H3,(H,16,18).
What are the key properties of N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(methylamino)oxolane-3-carboxamide?
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(methylamino)oxolane-3-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(methylamino)oxolane-3-carboxamide is sourced from PubChem (CID 107163991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).