[2-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]urea

C13H25N3O4 — CID 97136708

IUPAC[2-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]urea
SMILESCOCCC[C@]1(CO)CCCN(C(=O)CNC(N)=O)C1
InChIInChI=1S/C13H25N3O4/c1-20-7-3-5-13(10-17)4-2-6-16(9-13)11(18)8-15-12(14)19/h17H,2-10H2,1H3,(H3,14,15,19)/t13-/m1/s1
InChIKeyGJNWILFRBYQHKO-CYBMUJFWSA-N
MW287.36 g/mol
LogP-0.32
Rot. Bonds7

About [2-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]urea

[2-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]urea (PubChem CID 97136708) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is [2-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]urea.

Molecular Properties

Compound Name[2-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]urea
PubChem CID97136708
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name[2-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]urea
SMILESCOCCC[C@]1(CO)CCCN(C(=O)CNC(N)=O)C1
InChIInChI=1S/C13H25N3O4/c1-20-7-3-5-13(10-17)4-2-6-16(9-13)11(18)8-15-12(14)19/h17H,2-10H2,1H3,(H3,14,15,19)/t13-/m1/s1
InChIKeyGJNWILFRBYQHKO-CYBMUJFWSA-N
XLogP-0.32
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 97153059
1-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
CID 72854038
3-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]propanoic acid
CID 97125742
[3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
CID 72873894
[3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone
CID 72932601
(3S)-N-[(4-chlorophenyl)methyl]-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidine-1-carboxamide
CID 97132051
[2-[(6S)-2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-oxoethyl]urea
CID 97117307
3-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 97132495
3-(4-chloropyrazol-1-yl)-1-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]propan-1-one
CID 97147113
(5-chlorofuran-2-yl)-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97150459
1-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one
CID 72914663
[(3R)-1-(azepan-1-ylsulfonyl)-3-(3-methoxypropyl)piperidin-3-yl]methanol
CID 97142125

Frequently Asked Questions

What is the IUPAC name of [2-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]urea?
The IUPAC name of [2-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]urea (CID 97136708) is [2-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]urea.
What is the SMILES notation for [2-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]urea?
The canonical SMILES for [2-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]urea is COCCC[C@]1(CO)CCCN(C(=O)CNC(N)=O)C1.
What is the InChIKey of [2-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]urea?
The InChIKey is GJNWILFRBYQHKO-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-20-7-3-5-13(10-17)4-2-6-16(9-13)11(18)8-15-12(14)19/h17H,2-10H2,1H3,(H3,14,15,19)/t13-/m1/s1.
What are the key properties of [2-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]urea?
[2-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]urea has a molecular weight of 287.36 g/mol, XLogP of -0.32, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]urea is sourced from PubChem (CID 97136708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).