1-cyclopentyl-3-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methyl]urea

C17H30N6O — CID 56741878

IUPAC1-cyclopentyl-3-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methyl]urea
SMILESCCn1ncnc1CN1CCCC(CNC(=O)NC2CCCC2)C1
InChIInChI=1S/C17H30N6O/c1-2-23-16(19-13-20-23)12-22-9-5-6-14(11-22)10-18-17(24)21-15-7-3-4-8-15/h13-15H,2-12H2,1H3,(H2,18,21,24)
InChIKeySSIQYZHFFTXHIK-UHFFFAOYSA-N
MW334.47 g/mol
LogP1.75
Rot. Bonds6

About 1-cyclopentyl-3-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methyl]urea

1-cyclopentyl-3-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methyl]urea (PubChem CID 56741878) has the molecular formula C17H30N6O and a molecular weight of 334.47 g/mol. Its IUPAC name is 1-cyclopentyl-3-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methyl]urea
PubChem CID56741878
Molecular FormulaC17H30N6O
Molecular Weight334.47 g/mol
Exact Mass334.25
IUPAC Name1-cyclopentyl-3-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methyl]urea
SMILESCCn1ncnc1CN1CCCC(CNC(=O)NC2CCCC2)C1
InChIInChI=1S/C17H30N6O/c1-2-23-16(19-13-20-23)12-22-9-5-6-14(11-22)10-18-17(24)21-15-7-3-4-8-15/h13-15H,2-12H2,1H3,(H2,18,21,24)
InChIKeySSIQYZHFFTXHIK-UHFFFAOYSA-N
XLogP1.75
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methyl]urea?
The IUPAC name of 1-cyclopentyl-3-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methyl]urea (CID 56741878) is 1-cyclopentyl-3-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methyl]urea is CCn1ncnc1CN1CCCC(CNC(=O)NC2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-3-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methyl]urea?
The InChIKey is SSIQYZHFFTXHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O/c1-2-23-16(19-13-20-23)12-22-9-5-6-14(11-22)10-18-17(24)21-15-7-3-4-8-15/h13-15H,2-12H2,1H3,(H2,18,21,24).
What are the key properties of 1-cyclopentyl-3-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methyl]urea?
1-cyclopentyl-3-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methyl]urea has a molecular weight of 334.47 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methyl]urea is sourced from PubChem (CID 56741878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).