[1-[4-(methylamino)oxolane-3-carbonyl]piperidin-3-yl]methylurea

C13H24N4O3 — CID 66265033

IUPAC[1-[4-(methylamino)oxolane-3-carbonyl]piperidin-3-yl]methylurea
SMILESCNC1COCC1C(=O)N1CCCC(CNC(N)=O)C1
InChIInChI=1S/C13H24N4O3/c1-15-11-8-20-7-10(11)12(18)17-4-2-3-9(6-17)5-16-13(14)19/h9-11,15H,2-8H2,1H3,(H3,14,16,19)
InChIKeyKQNSOSDBGRMCMY-UHFFFAOYSA-N
MW284.36 g/mol
LogP-0.87
Rot. Bonds4

About [1-[4-(methylamino)oxolane-3-carbonyl]piperidin-3-yl]methylurea

[1-[4-(methylamino)oxolane-3-carbonyl]piperidin-3-yl]methylurea (PubChem CID 66265033) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is [1-[4-(methylamino)oxolane-3-carbonyl]piperidin-3-yl]methylurea.

Molecular Properties

Compound Name[1-[4-(methylamino)oxolane-3-carbonyl]piperidin-3-yl]methylurea
PubChem CID66265033
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Name[1-[4-(methylamino)oxolane-3-carbonyl]piperidin-3-yl]methylurea
SMILESCNC1COCC1C(=O)N1CCCC(CNC(N)=O)C1
InChIInChI=1S/C13H24N4O3/c1-15-11-8-20-7-10(11)12(18)17-4-2-3-9(6-17)5-16-13(14)19/h9-11,15H,2-8H2,1H3,(H3,14,16,19)
InChIKeyKQNSOSDBGRMCMY-UHFFFAOYSA-N
XLogP-0.87
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3-hydroxypiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone
CID 66267351
[4-(ethylamino)oxolan-3-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 66260210
(4-hydroxypiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone
CID 66267148
[4-(methylamino)oxolan-3-yl]-(3-piperidin-1-ylpyrrolidin-1-yl)methanone
CID 66265073
[1-(2-bromo-2-methylpropanoyl)piperidin-3-yl]methylurea
CID 114328264
1-[4-[4-(methylamino)oxolane-3-carbonyl]-1,4-diazepan-1-yl]propan-1-one
CID 66265829
[1-(3-methylpiperidine-2-carbonyl)piperidin-3-yl]methylurea
CID 107067784
[1-[(2R)-2-amino-3-methylbutanoyl]piperidin-3-yl]methylurea
CID 79013238
(4-ethyl-3-methylpiperazin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone
CID 66265663
N-ethyl-1-[4-(methylamino)oxolane-3-carbonyl]piperidine-4-carboxamide
CID 66267202
3-[1-[4-(methylamino)oxolane-3-carbonyl]piperidin-4-yl]propanoic acid
CID 66267039
(3R)-3-[(carbamoylamino)methyl]-N-cyclohexylpiperidine-1-carboxamide
CID 94192168

Frequently Asked Questions

What is the IUPAC name of [1-[4-(methylamino)oxolane-3-carbonyl]piperidin-3-yl]methylurea?
The IUPAC name of [1-[4-(methylamino)oxolane-3-carbonyl]piperidin-3-yl]methylurea (CID 66265033) is [1-[4-(methylamino)oxolane-3-carbonyl]piperidin-3-yl]methylurea.
What is the SMILES notation for [1-[4-(methylamino)oxolane-3-carbonyl]piperidin-3-yl]methylurea?
The canonical SMILES for [1-[4-(methylamino)oxolane-3-carbonyl]piperidin-3-yl]methylurea is CNC1COCC1C(=O)N1CCCC(CNC(N)=O)C1.
What is the InChIKey of [1-[4-(methylamino)oxolane-3-carbonyl]piperidin-3-yl]methylurea?
The InChIKey is KQNSOSDBGRMCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-15-11-8-20-7-10(11)12(18)17-4-2-3-9(6-17)5-16-13(14)19/h9-11,15H,2-8H2,1H3,(H3,14,16,19).
What are the key properties of [1-[4-(methylamino)oxolane-3-carbonyl]piperidin-3-yl]methylurea?
[1-[4-(methylamino)oxolane-3-carbonyl]piperidin-3-yl]methylurea has a molecular weight of 284.36 g/mol, XLogP of -0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(methylamino)oxolane-3-carbonyl]piperidin-3-yl]methylurea is sourced from PubChem (CID 66265033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).