1-(1-benzylpiperidin-3-yl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea

C21H26N6O — CID 136577315

IUPAC1-(1-benzylpiperidin-3-yl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
SMILESCC(NC(=O)NC1CCCN(Cc2ccccc2)C1)c1nnc2ccccn12
InChIInChI=1S/C21H26N6O/c1-16(20-25-24-19-11-5-6-13-27(19)20)22-21(28)23-18-10-7-12-26(15-18)14-17-8-3-2-4-9-17/h2-6,8-9,11,13,16,18H,7,10,12,14-15H2,1H3,(H2,22,23,28)
InChIKeyLBYCFXJATNZNRC-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.75
Rot. Bonds5

About 1-(1-benzylpiperidin-3-yl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea

1-(1-benzylpiperidin-3-yl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea (PubChem CID 136577315) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-3-yl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(1-benzylpiperidin-3-yl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
PubChem CID136577315
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name1-(1-benzylpiperidin-3-yl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
SMILESCC(NC(=O)NC1CCCN(Cc2ccccc2)C1)c1nnc2ccccn12
InChIInChI=1S/C21H26N6O/c1-16(20-25-24-19-11-5-6-13-27(19)20)22-21(28)23-18-10-7-12-26(15-18)14-17-8-3-2-4-9-17/h2-6,8-9,11,13,16,18H,7,10,12,14-15H2,1H3,(H2,22,23,28)
InChIKeyLBYCFXJATNZNRC-UHFFFAOYSA-N
XLogP2.75
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1-benzylpiperidin-3-yl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea with MolForge

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Related Compounds

1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
1-benzyl-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 47012876
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
1-benzyl-3-[(3S)-1-benzylpiperidin-3-yl]urea
CID 51941035
N-(1-benzylpiperidin-3-yl)-2-(propan-2-ylamino)acetamide
CID 64590485
1-propylsulfonyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 51248071
(2S)-2-amino-N-(1-benzylpiperidin-3-yl)butanamide
CID 79022762
3-amino-N-(1-benzylpiperidin-3-yl)butanamide;dihydrochloride
CID 119856024
N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24791440
N-(1-benzylpiperidin-3-yl)butanamide
CID 60756097
N-[1-(1-benzylpiperidin-3-yl)ethyl]acetamide
CID 21041194
3-[(1-benzylpiperidin-3-yl)amino]-2-methylbutanoic acid
CID 79396709

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-3-yl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea?
The IUPAC name of 1-(1-benzylpiperidin-3-yl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea (CID 136577315) is 1-(1-benzylpiperidin-3-yl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea.
What is the SMILES notation for 1-(1-benzylpiperidin-3-yl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea?
The canonical SMILES for 1-(1-benzylpiperidin-3-yl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea is CC(NC(=O)NC1CCCN(Cc2ccccc2)C1)c1nnc2ccccn12.
What is the InChIKey of 1-(1-benzylpiperidin-3-yl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea?
The InChIKey is LBYCFXJATNZNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-16(20-25-24-19-11-5-6-13-27(19)20)22-21(28)23-18-10-7-12-26(15-18)14-17-8-3-2-4-9-17/h2-6,8-9,11,13,16,18H,7,10,12,14-15H2,1H3,(H2,22,23,28).
What are the key properties of 1-(1-benzylpiperidin-3-yl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea?
1-(1-benzylpiperidin-3-yl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea has a molecular weight of 378.48 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-3-yl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea is sourced from PubChem (CID 136577315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).