1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-[3-(1,2,4-triazol-4-yl)phenyl]urea

C19H26N6O2 — CID 118784099

IUPAC1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-[3-(1,2,4-triazol-4-yl)phenyl]urea
SMILESO=C(Nc1cccc(-n2cnnc2)c1)NC1CCN(CC2CCCO2)CC1
InChIInChI=1S/C19H26N6O2/c26-19(23-16-3-1-4-17(11-16)25-13-20-21-14-25)22-15-6-8-24(9-7-15)12-18-5-2-10-27-18/h1,3-4,11,13-15,18H,2,5-10,12H2,(H2,22,23,26)
InChIKeyAKEWPGXEUGVGMB-UHFFFAOYSA-N
MW370.46 g/mol
LogP2.03
Rot. Bonds5

About 1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-[3-(1,2,4-triazol-4-yl)phenyl]urea

1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-[3-(1,2,4-triazol-4-yl)phenyl]urea (PubChem CID 118784099) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-[3-(1,2,4-triazol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-[3-(1,2,4-triazol-4-yl)phenyl]urea
PubChem CID118784099
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-[3-(1,2,4-triazol-4-yl)phenyl]urea
SMILESO=C(Nc1cccc(-n2cnnc2)c1)NC1CCN(CC2CCCO2)CC1
InChIInChI=1S/C19H26N6O2/c26-19(23-16-3-1-4-17(11-16)25-13-20-21-14-25)22-15-6-8-24(9-7-15)12-18-5-2-10-27-18/h1,3-4,11,13-15,18H,2,5-10,12H2,(H2,22,23,26)
InChIKeyAKEWPGXEUGVGMB-UHFFFAOYSA-N
XLogP2.03
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-[3-(1,2,4-triazol-4-yl)phenyl]urea with MolForge

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Related Compounds

1-[1-(2-methylsulfanylethyl)piperidin-4-yl]-3-[3-(1,2,4-triazol-4-yl)phenyl]urea
CID 118772205
1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-(3-prop-2-enoxyphenyl)urea
CID 118777017
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]urea
CID 125170217
N-[2-methyl-5-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoylamino]phenyl]propanamide
CID 74243085
1-cyclopropyl-3-[3-(oxolan-2-ylmethoxy)phenyl]urea
CID 47162446
N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]-3-pyridin-4-ylpropanamide
CID 125176299
1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 136578364
4-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 146134662
N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 139000544
1-cyclopentyl-3-[3-(tetrazol-1-yl)phenyl]urea
CID 47199011
1-(oxolan-2-ylmethyl)-3-(3-piperidin-1-ylphenyl)urea
CID 60572820
1-ethyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazole-3-carboxamide
CID 125172263

Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-[3-(1,2,4-triazol-4-yl)phenyl]urea?
The IUPAC name of 1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-[3-(1,2,4-triazol-4-yl)phenyl]urea (CID 118784099) is 1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-[3-(1,2,4-triazol-4-yl)phenyl]urea.
What is the SMILES notation for 1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-[3-(1,2,4-triazol-4-yl)phenyl]urea?
The canonical SMILES for 1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-[3-(1,2,4-triazol-4-yl)phenyl]urea is O=C(Nc1cccc(-n2cnnc2)c1)NC1CCN(CC2CCCO2)CC1.
What is the InChIKey of 1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-[3-(1,2,4-triazol-4-yl)phenyl]urea?
The InChIKey is AKEWPGXEUGVGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c26-19(23-16-3-1-4-17(11-16)25-13-20-21-14-25)22-15-6-8-24(9-7-15)12-18-5-2-10-27-18/h1,3-4,11,13-15,18H,2,5-10,12H2,(H2,22,23,26).
What are the key properties of 1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-[3-(1,2,4-triazol-4-yl)phenyl]urea?
1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-[3-(1,2,4-triazol-4-yl)phenyl]urea has a molecular weight of 370.46 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-[3-(1,2,4-triazol-4-yl)phenyl]urea is sourced from PubChem (CID 118784099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).