1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea

C19H28N6O2 — CID 97276719

IUPAC1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea
SMILESCCn1ncnc1[C@@H](C)NC(=O)Nc1ccc(OC2CCN(C)CC2)cc1
InChIInChI=1S/C19H28N6O2/c1-4-25-18(20-13-21-25)14(2)22-19(26)23-15-5-7-16(8-6-15)27-17-9-11-24(3)12-10-17/h5-8,13-14,17H,4,9-12H2,1-3H3,(H2,22,23,26)/t14-/m1/s1
InChIKeyJEFKWVIOYMMIFQ-CQSZACIVSA-N
MW372.47 g/mol
LogP2.65
Rot. Bonds6

About 1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea

1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea (PubChem CID 97276719) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea
PubChem CID97276719
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea
SMILESCCn1ncnc1[C@@H](C)NC(=O)Nc1ccc(OC2CCN(C)CC2)cc1
InChIInChI=1S/C19H28N6O2/c1-4-25-18(20-13-21-25)14(2)22-19(26)23-15-5-7-16(8-6-15)27-17-9-11-24(3)12-10-17/h5-8,13-14,17H,4,9-12H2,1-3H3,(H2,22,23,26)/t14-/m1/s1
InChIKeyJEFKWVIOYMMIFQ-CQSZACIVSA-N
XLogP2.65
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea with MolForge

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Related Compounds

1-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(2-methyl-1-benzofuran-5-yl)urea
CID 72873863
methyl 4-[[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]carbamoylamino]benzoate
CID 125175288
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea
CID 72860951
1-(4-cyclopentyloxyphenyl)-3-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 97257371
(2S)-2-(2-ethylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
CID 99972529
1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-[1-(2-methoxyethyl)-2-methylindol-5-yl]urea
CID 126436507
(2S)-2-(4-chlorophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
CID 99971545
1-[2-(4-fluorophenoxy)ethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea
CID 72924084
N-[4-chloro-3-[[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]carbamoylamino]phenyl]-2-methoxyacetamide
CID 97453184
1-methyl-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-[(2R)-1-pyridin-2-ylpropan-2-yl]urea
CID 97434227
1-(1-ethyltriazol-4-yl)-3-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]urea
CID 97454722
1-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-phenylurea
CID 50875367

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea?
The IUPAC name of 1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea (CID 97276719) is 1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea.
What is the SMILES notation for 1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea?
The canonical SMILES for 1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea is CCn1ncnc1[C@@H](C)NC(=O)Nc1ccc(OC2CCN(C)CC2)cc1.
What is the InChIKey of 1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea?
The InChIKey is JEFKWVIOYMMIFQ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-4-25-18(20-13-21-25)14(2)22-19(26)23-15-5-7-16(8-6-15)27-17-9-11-24(3)12-10-17/h5-8,13-14,17H,4,9-12H2,1-3H3,(H2,22,23,26)/t14-/m1/s1.
What are the key properties of 1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea?
1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea has a molecular weight of 372.47 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea is sourced from PubChem (CID 97276719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).