1-(cyclohexylmethyl)-3-(1-pyrazin-2-ylpiperidin-3-yl)urea

C17H27N5O — CID 23609024

IUPAC1-(cyclohexylmethyl)-3-(1-pyrazin-2-ylpiperidin-3-yl)urea
SMILESO=C(NCC1CCCCC1)NC1CCCN(c2cnccn2)C1
InChIInChI=1S/C17H27N5O/c23-17(20-11-14-5-2-1-3-6-14)21-15-7-4-10-22(13-15)16-12-18-8-9-19-16/h8-9,12,14-15H,1-7,10-11,13H2,(H2,20,21,23)
InChIKeyOLIVRUOWNDCLPJ-UHFFFAOYSA-N
MW317.44 g/mol
LogP2.32
Rot. Bonds4

About 1-(cyclohexylmethyl)-3-(1-pyrazin-2-ylpiperidin-3-yl)urea

1-(cyclohexylmethyl)-3-(1-pyrazin-2-ylpiperidin-3-yl)urea (PubChem CID 23609024) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-(1-pyrazin-2-ylpiperidin-3-yl)urea.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-(1-pyrazin-2-ylpiperidin-3-yl)urea
PubChem CID23609024
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name1-(cyclohexylmethyl)-3-(1-pyrazin-2-ylpiperidin-3-yl)urea
SMILESO=C(NCC1CCCCC1)NC1CCCN(c2cnccn2)C1
InChIInChI=1S/C17H27N5O/c23-17(20-11-14-5-2-1-3-6-14)21-15-7-4-10-22(13-15)16-12-18-8-9-19-16/h8-9,12,14-15H,1-7,10-11,13H2,(H2,20,21,23)
InChIKeyOLIVRUOWNDCLPJ-UHFFFAOYSA-N
XLogP2.32
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222601
N-cyclohexyl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 655805
N-(4-methylcyclohexyl)-1-(2-pyrazinyl)-4-piperidinecarboxamide
CID 656353
N-(cyclohexylmethyl)pyrazin-2-amine
CID 43215345
N-cyclopropyl-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 33384005
N-(2-methylpropyl)-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 33384049
N-(1-cyclopropylpiperidin-4-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 51078473
N-(1-acetylpiperidin-4-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 53520646
N-[2-(pyrazin-2-ylamino)ethyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 53522071
N-(Cyclohexylmethyl)-1-(pyrazin-2-YL)piperidine-4-carboxamide
CID 3222642
N-Cyclopropyl-1-(pyrazin-2-YL)piperidine-4-carboxamide
CID 23609082
N-ethyl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 23609092

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-(1-pyrazin-2-ylpiperidin-3-yl)urea?
The IUPAC name of 1-(cyclohexylmethyl)-3-(1-pyrazin-2-ylpiperidin-3-yl)urea (CID 23609024) is 1-(cyclohexylmethyl)-3-(1-pyrazin-2-ylpiperidin-3-yl)urea.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-(1-pyrazin-2-ylpiperidin-3-yl)urea?
The canonical SMILES for 1-(cyclohexylmethyl)-3-(1-pyrazin-2-ylpiperidin-3-yl)urea is O=C(NCC1CCCCC1)NC1CCCN(c2cnccn2)C1.
What is the InChIKey of 1-(cyclohexylmethyl)-3-(1-pyrazin-2-ylpiperidin-3-yl)urea?
The InChIKey is OLIVRUOWNDCLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c23-17(20-11-14-5-2-1-3-6-14)21-15-7-4-10-22(13-15)16-12-18-8-9-19-16/h8-9,12,14-15H,1-7,10-11,13H2,(H2,20,21,23).
What are the key properties of 1-(cyclohexylmethyl)-3-(1-pyrazin-2-ylpiperidin-3-yl)urea?
1-(cyclohexylmethyl)-3-(1-pyrazin-2-ylpiperidin-3-yl)urea has a molecular weight of 317.44 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-(1-pyrazin-2-ylpiperidin-3-yl)urea is sourced from PubChem (CID 23609024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).