(1,2-dimethylpiperidin-3-yl)urea

C8H17N3O — CID 127013120

IUPAC(1,2-dimethylpiperidin-3-yl)urea
SMILESCC1C(NC(N)=O)CCCN1C
InChIInChI=1S/C8H17N3O/c1-6-7(10-8(9)12)4-3-5-11(6)2/h6-7H,3-5H2,1-2H3,(H3,9,10,12)
InChIKeyBKOXCSICBNJYPQ-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.14
Rot. Bonds1

About (1,2-dimethylpiperidin-3-yl)urea

(1,2-dimethylpiperidin-3-yl)urea (PubChem CID 127013120) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is (1,2-dimethylpiperidin-3-yl)urea.

Molecular Properties

Compound Name(1,2-dimethylpiperidin-3-yl)urea
PubChem CID127013120
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name(1,2-dimethylpiperidin-3-yl)urea
SMILESCC1C(NC(N)=O)CCCN1C
InChIInChI=1S/C8H17N3O/c1-6-7(10-8(9)12)4-3-5-11(6)2/h6-7H,3-5H2,1-2H3,(H3,9,10,12)
InChIKeyBKOXCSICBNJYPQ-UHFFFAOYSA-N
XLogP0.14
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-(1,2-dimethylpiperidin-3-yl)carbamate
CID 126988217
(2-methylcyclopentyl)urea
CID 63281869
(2-methylcyclohexyl)urea
CID 3345444
methyl 4-[[(2S,3R)-1,2-dimethylpiperidin-3-yl]carbamoyl]benzoate
CID 97350843
5-cyclopropyl-N-(1,2-dimethylpiperidin-3-yl)-1,2-oxazole-3-carboxamide
CID 130188089
[2-(2,6-difluoro-4-methoxyphenyl)-1-methylpiperidin-3-yl]urea
CID 140853599
(2S)-1-methylpyrrolidine-2-carboxamide
CID 14245857
1-methylpyrrolidine-2-carboxamide;hydrochloride
CID 66716063
(1,2-dimethylpiperidin-3-yl)methanamine
CID 83669908
ethyl (2R,3S)-1,2-dimethylpiperidine-3-carboxylate
CID 124638219
[(1S,2R)-2-(aminomethyl)cyclopentyl]urea
CID 94903973
[(1R,2S)-2-(hydroxymethyl)cyclopentyl]urea
CID 131092066

Frequently Asked Questions

What is the IUPAC name of (1,2-dimethylpiperidin-3-yl)urea?
The IUPAC name of (1,2-dimethylpiperidin-3-yl)urea (CID 127013120) is (1,2-dimethylpiperidin-3-yl)urea.
What is the SMILES notation for (1,2-dimethylpiperidin-3-yl)urea?
The canonical SMILES for (1,2-dimethylpiperidin-3-yl)urea is CC1C(NC(N)=O)CCCN1C.
What is the InChIKey of (1,2-dimethylpiperidin-3-yl)urea?
The InChIKey is BKOXCSICBNJYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-6-7(10-8(9)12)4-3-5-11(6)2/h6-7H,3-5H2,1-2H3,(H3,9,10,12).
What are the key properties of (1,2-dimethylpiperidin-3-yl)urea?
(1,2-dimethylpiperidin-3-yl)urea has a molecular weight of 171.24 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethylpiperidin-3-yl)urea is sourced from PubChem (CID 127013120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).