1-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]-3-(4-piperidin-1-yloxolan-3-yl)urea

C20H28N6O2 — CID 156607927

IUPAC1-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]-3-(4-piperidin-1-yloxolan-3-yl)urea
SMILESCc1nc(Cc2ccc(NC(=O)NC3COCC3N3CCCCC3)cc2)n[nH]1
InChIInChI=1S/C20H28N6O2/c1-14-21-19(25-24-14)11-15-5-7-16(8-6-15)22-20(27)23-17-12-28-13-18(17)26-9-3-2-4-10-26/h5-8,17-18H,2-4,9-13H2,1H3,(H,21,24,25)(H2,22,23,27)
InChIKeyYHVBWHICUFIIBQ-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.08
Rot. Bonds5

About 1-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]-3-(4-piperidin-1-yloxolan-3-yl)urea

1-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]-3-(4-piperidin-1-yloxolan-3-yl)urea (PubChem CID 156607927) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]-3-(4-piperidin-1-yloxolan-3-yl)urea.

Molecular Properties

Compound Name1-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]-3-(4-piperidin-1-yloxolan-3-yl)urea
PubChem CID156607927
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name1-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]-3-(4-piperidin-1-yloxolan-3-yl)urea
SMILESCc1nc(Cc2ccc(NC(=O)NC3COCC3N3CCCCC3)cc2)n[nH]1
InChIInChI=1S/C20H28N6O2/c1-14-21-19(25-24-14)11-15-5-7-16(8-6-15)22-20(27)23-17-12-28-13-18(17)26-9-3-2-4-10-26/h5-8,17-18H,2-4,9-13H2,1H3,(H,21,24,25)(H2,22,23,27)
InChIKeyYHVBWHICUFIIBQ-UHFFFAOYSA-N
XLogP2.08
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]-3-(4-piperidin-1-yloxolan-3-yl)urea with MolForge

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Related Compounds

1-naphthalen-2-yl-3-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]urea
CID 133138704
(2R)-2-(furan-2-yl)-N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]azepane-1-carboxamide
CID 125161346
2-(furan-2-yl)-N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]azepane-1-carboxamide
CID 118767546
N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]-2-[(3R)-morpholin-3-yl]acetamide
CID 95727200
1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]urea
CID 118793961
1-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-3-(2,3,5-trifluorophenyl)urea
CID 133134827
1-[(2S)-1-methoxypropan-2-yl]-3-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]urea
CID 118787319
1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]urea
CID 72888331
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide
CID 122557865
(3S)-3-(imidazol-1-ylmethyl)-N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]piperidine-1-carboxamide
CID 125171773
1-(cyclobutylmethyl)-3-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]-1-(oxolan-2-ylmethyl)urea
CID 72841785
1-[3-(difluoromethoxy)phenyl]-3-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]urea
CID 133129107

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]-3-(4-piperidin-1-yloxolan-3-yl)urea?
The IUPAC name of 1-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]-3-(4-piperidin-1-yloxolan-3-yl)urea (CID 156607927) is 1-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]-3-(4-piperidin-1-yloxolan-3-yl)urea.
What is the SMILES notation for 1-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]-3-(4-piperidin-1-yloxolan-3-yl)urea?
The canonical SMILES for 1-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]-3-(4-piperidin-1-yloxolan-3-yl)urea is Cc1nc(Cc2ccc(NC(=O)NC3COCC3N3CCCCC3)cc2)n[nH]1.
What is the InChIKey of 1-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]-3-(4-piperidin-1-yloxolan-3-yl)urea?
The InChIKey is YHVBWHICUFIIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-14-21-19(25-24-14)11-15-5-7-16(8-6-15)22-20(27)23-17-12-28-13-18(17)26-9-3-2-4-10-26/h5-8,17-18H,2-4,9-13H2,1H3,(H,21,24,25)(H2,22,23,27).
What are the key properties of 1-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]-3-(4-piperidin-1-yloxolan-3-yl)urea?
1-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]-3-(4-piperidin-1-yloxolan-3-yl)urea has a molecular weight of 384.48 g/mol, XLogP of 2.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]-3-(4-piperidin-1-yloxolan-3-yl)urea is sourced from PubChem (CID 156607927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).