1,1,3-trimethyl-3-(1-pyrazin-2-ylpiperidin-4-yl)urea

C13H21N5O — CID 166603322

IUPAC1,1,3-trimethyl-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
SMILESCN(C)C(=O)N(C)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C13H21N5O/c1-16(2)13(19)17(3)11-4-8-18(9-5-11)12-10-14-6-7-15-12/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKeyXPESAZUSCTVIMO-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.06
Rot. Bonds2

About 1,1,3-trimethyl-3-(1-pyrazin-2-ylpiperidin-4-yl)urea

1,1,3-trimethyl-3-(1-pyrazin-2-ylpiperidin-4-yl)urea (PubChem CID 166603322) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 1,1,3-trimethyl-3-(1-pyrazin-2-ylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1,1,3-trimethyl-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
PubChem CID166603322
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name1,1,3-trimethyl-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
SMILESCN(C)C(=O)N(C)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C13H21N5O/c1-16(2)13(19)17(3)11-4-8-18(9-5-11)12-10-14-6-7-15-12/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKeyXPESAZUSCTVIMO-UHFFFAOYSA-N
XLogP1.06
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,1,3-trimethyl-3-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]urea
CID 166603310
4-ethoxy-N-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)benzamide
CID 136538206
N-ethyl-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 134005797
3-[4-(hydroxymethyl)phenyl]-1-methyl-1-(1-pyrazin-2-ylpiperidin-4-yl)urea
CID 170788464
2-[methyl-(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]acetic acid
CID 119346169
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 134053537
1,1,3-trimethyl-3-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl]urea
CID 166603326
1,1,3-trimethyl-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea
CID 166603331
N,2,6-trimethyl-N-(1-pyrazin-2-ylpiperidin-4-yl)pyridin-4-amine
CID 166304823
5-chloro-N-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrimidin-2-amine
CID 155942328
1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-1,3,3-trimethylurea
CID 166603398
2-(4-bromopiperidin-1-yl)pyrazine
CID 80674882

Frequently Asked Questions

What is the IUPAC name of 1,1,3-trimethyl-3-(1-pyrazin-2-ylpiperidin-4-yl)urea?
The IUPAC name of 1,1,3-trimethyl-3-(1-pyrazin-2-ylpiperidin-4-yl)urea (CID 166603322) is 1,1,3-trimethyl-3-(1-pyrazin-2-ylpiperidin-4-yl)urea.
What is the SMILES notation for 1,1,3-trimethyl-3-(1-pyrazin-2-ylpiperidin-4-yl)urea?
The canonical SMILES for 1,1,3-trimethyl-3-(1-pyrazin-2-ylpiperidin-4-yl)urea is CN(C)C(=O)N(C)C1CCN(c2cnccn2)CC1.
What is the InChIKey of 1,1,3-trimethyl-3-(1-pyrazin-2-ylpiperidin-4-yl)urea?
The InChIKey is XPESAZUSCTVIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-16(2)13(19)17(3)11-4-8-18(9-5-11)12-10-14-6-7-15-12/h6-7,10-11H,4-5,8-9H2,1-3H3.
What are the key properties of 1,1,3-trimethyl-3-(1-pyrazin-2-ylpiperidin-4-yl)urea?
1,1,3-trimethyl-3-(1-pyrazin-2-ylpiperidin-4-yl)urea has a molecular weight of 263.34 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trimethyl-3-(1-pyrazin-2-ylpiperidin-4-yl)urea is sourced from PubChem (CID 166603322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).