1-[(4-hydroxypiperidin-4-yl)methyl]-3-methylurea

C8H17N3O2 — CID 130984635

IUPAC1-[(4-hydroxypiperidin-4-yl)methyl]-3-methylurea
SMILESCNC(=O)NCC1(O)CCNCC1
InChIInChI=1S/C8H17N3O2/c1-9-7(12)11-6-8(13)2-4-10-5-3-8/h10,13H,2-6H2,1H3,(H2,9,11,12)
InChIKeyNKWGUJGTWKBMOI-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.97
Rot. Bonds2

About 1-[(4-hydroxypiperidin-4-yl)methyl]-3-methylurea

1-[(4-hydroxypiperidin-4-yl)methyl]-3-methylurea (PubChem CID 130984635) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-[(4-hydroxypiperidin-4-yl)methyl]-3-methylurea.

Molecular Properties

Compound Name1-[(4-hydroxypiperidin-4-yl)methyl]-3-methylurea
PubChem CID130984635
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name1-[(4-hydroxypiperidin-4-yl)methyl]-3-methylurea
SMILESCNC(=O)NCC1(O)CCNCC1
InChIInChI=1S/C8H17N3O2/c1-9-7(12)11-6-8(13)2-4-10-5-3-8/h10,13H,2-6H2,1H3,(H2,9,11,12)
InChIKeyNKWGUJGTWKBMOI-UHFFFAOYSA-N
XLogP-0.97
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(4R)-4-hydroxyazepan-4-yl]methyl]-3,5-dimethylbenzamide
CID 95722997
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methylurea
CID 79461046
1-methyl-3-[(1-methylcyclobutyl)methyl]urea
CID 103735098
3-[(3-hydroxypyrrolidin-3-yl)methyl]-1,1-dimethylurea
CID 114760994
N-ethyl-2-(4-hydroxypiperidin-4-yl)acetamide
CID 84719027
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpiperidine-4-carboxamide
CID 65119685
N-[(4-hydroxypiperidin-4-yl)methyl]-3,3-dimethyl-2-oxoindole-1-carboxamide
CID 67233261
benzyl N-[[(4R)-4-hydroxyazepan-4-yl]methyl]carbamate
CID 125117285
2,3,4,5,6-pentafluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 114760608
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-methylpyrrolidine-3-carboxamide
CID 65120412
5-cyclopropyl-N-[(4-hydroxypiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 130188168
2-(4-hydroxypiperidin-4-yl)acetic acid
CID 15565781

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxypiperidin-4-yl)methyl]-3-methylurea?
The IUPAC name of 1-[(4-hydroxypiperidin-4-yl)methyl]-3-methylurea (CID 130984635) is 1-[(4-hydroxypiperidin-4-yl)methyl]-3-methylurea.
What is the SMILES notation for 1-[(4-hydroxypiperidin-4-yl)methyl]-3-methylurea?
The canonical SMILES for 1-[(4-hydroxypiperidin-4-yl)methyl]-3-methylurea is CNC(=O)NCC1(O)CCNCC1.
What is the InChIKey of 1-[(4-hydroxypiperidin-4-yl)methyl]-3-methylurea?
The InChIKey is NKWGUJGTWKBMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-9-7(12)11-6-8(13)2-4-10-5-3-8/h10,13H,2-6H2,1H3,(H2,9,11,12).
What are the key properties of 1-[(4-hydroxypiperidin-4-yl)methyl]-3-methylurea?
1-[(4-hydroxypiperidin-4-yl)methyl]-3-methylurea has a molecular weight of 187.24 g/mol, XLogP of -0.97, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxypiperidin-4-yl)methyl]-3-methylurea is sourced from PubChem (CID 130984635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).