1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-3-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)urea

C18H25ClN6O — CID 46988709

IUPAC1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-3-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)urea
SMILESCCc1nc(NC(=O)NC2CCN(Cc3ccccc3Cl)CC2)nn1C
InChIInChI=1S/C18H25ClN6O/c1-3-16-21-17(23-24(16)2)22-18(26)20-14-8-10-25(11-9-14)12-13-6-4-5-7-15(13)19/h4-7,14H,3,8-12H2,1-2H3,(H2,20,22,23,26)
InChIKeyRVQPXOXLPIYGFK-UHFFFAOYSA-N
MW376.89 g/mol
LogP2.82
Rot. Bonds5

About 1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-3-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)urea

1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-3-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)urea (PubChem CID 46988709) has the molecular formula C18H25ClN6O and a molecular weight of 376.89 g/mol. Its IUPAC name is 1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-3-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)urea.

Molecular Properties

Compound Name1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-3-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)urea
PubChem CID46988709
Molecular FormulaC18H25ClN6O
Molecular Weight376.89 g/mol
Exact Mass376.18
IUPAC Name1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-3-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)urea
SMILESCCc1nc(NC(=O)NC2CCN(Cc3ccccc3Cl)CC2)nn1C
InChIInChI=1S/C18H25ClN6O/c1-3-16-21-17(23-24(16)2)22-18(26)20-14-8-10-25(11-9-14)12-13-6-4-5-7-15(13)19/h4-7,14H,3,8-12H2,1-2H3,(H2,20,22,23,26)
InChIKeyRVQPXOXLPIYGFK-UHFFFAOYSA-N
XLogP2.82
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-3-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)urea with MolForge

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Related Compounds

1-[(2-chlorophenyl)methyl]-N-cyclopropylpyrrolidine-3-carboxamide
CID 166602716
1-[(2-chlorophenyl)methyl]-N-cyclopentylpiperidine-4-carboxamide;oxalic acid
CID 2903315
1-(1-benzylpiperidin-4-yl)-3-(2,4,5-trichlorophenyl)urea
CID 23825400
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-cyclopropylmethanone
CID 155674268
1-(1-benzylpiperidin-4-yl)-3-(2-methylpyrazol-3-yl)urea
CID 108813846
1-[(2,4-dichlorophenyl)methyl]-N-(2,6-diethylphenyl)piperidine-4-carboxamide
CID 43923773
1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 3889228
1-(1-benzylpiperidin-4-yl)-3-(4-propan-2-ylphenyl)urea
CID 3730510
1-[(2-chlorophenyl)methyl]-N-(2-ethylsulfanylphenyl)piperidine-4-carboxamide
CID 46776827
(2S)-2-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]hexanoic acid
CID 122044845
2-[[3-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122042708
2-N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-4-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 134700179

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-3-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)urea?
The IUPAC name of 1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-3-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)urea (CID 46988709) is 1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-3-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)urea.
What is the SMILES notation for 1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-3-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)urea?
The canonical SMILES for 1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-3-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)urea is CCc1nc(NC(=O)NC2CCN(Cc3ccccc3Cl)CC2)nn1C.
What is the InChIKey of 1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-3-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)urea?
The InChIKey is RVQPXOXLPIYGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN6O/c1-3-16-21-17(23-24(16)2)22-18(26)20-14-8-10-25(11-9-14)12-13-6-4-5-7-15(13)19/h4-7,14H,3,8-12H2,1-2H3,(H2,20,22,23,26).
What are the key properties of 1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-3-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)urea?
1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-3-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)urea has a molecular weight of 376.89 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-3-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)urea is sourced from PubChem (CID 46988709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).