1-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(2-piperidin-1-ylethyl)urea

C16H28N6O — CID 126787239

IUPAC1-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(2-piperidin-1-ylethyl)urea
SMILESO=C(NCCN1CCCCC1)Nc1ncn(C2CCCCC2)n1
InChIInChI=1S/C16H28N6O/c23-16(17-9-12-21-10-5-2-6-11-21)19-15-18-13-22(20-15)14-7-3-1-4-8-14/h13-14H,1-12H2,(H2,17,19,20,23)
InChIKeyYYMBCPHOXZEYNC-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.39
Rot. Bonds5

About 1-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(2-piperidin-1-ylethyl)urea

1-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(2-piperidin-1-ylethyl)urea (PubChem CID 126787239) has the molecular formula C16H28N6O and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(2-piperidin-1-ylethyl)urea.

Molecular Properties

Compound Name1-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(2-piperidin-1-ylethyl)urea
PubChem CID126787239
Molecular FormulaC16H28N6O
Molecular Weight320.44 g/mol
Exact Mass320.23
IUPAC Name1-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(2-piperidin-1-ylethyl)urea
SMILESO=C(NCCN1CCCCC1)Nc1ncn(C2CCCCC2)n1
InChIInChI=1S/C16H28N6O/c23-16(17-9-12-21-10-5-2-6-11-21)19-15-18-13-22(20-15)14-7-3-1-4-8-14/h13-14H,1-12H2,(H2,17,19,20,23)
InChIKeyYYMBCPHOXZEYNC-UHFFFAOYSA-N
XLogP2.39
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-piperidin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 45893430
3-pyrrolidin-1-yl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-carboxamide
CID 53504535
4-piperidin-1-yl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-carboxamide
CID 53517842
N-(1-ethylpiperidin-4-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 53575276
N-(1-cyclopropylpiperidin-4-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 53575294
N-(2-acetamidoethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 72043970
1-[2-(4-Methylpiperidin-1-yl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea
CID 75435226
1-(2-Methyl-1,2,4-triazol-3-yl)-3-(3-piperidin-1-ylbutyl)urea
CID 75484662
N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide
CID 126774252
N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 126776930
N-(1-cycloheptyl-3-piperidinyl)-2-(1H-1,2,4-triazol-1-yl)acetamide
CID 45199034
N-[1-(cyclohexylmethyl)-3-piperidinyl]-2-(1H-1,2,4-triazol-1-yl)acetamide
CID 45205798

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(2-piperidin-1-ylethyl)urea?
The IUPAC name of 1-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(2-piperidin-1-ylethyl)urea (CID 126787239) is 1-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(2-piperidin-1-ylethyl)urea.
What is the SMILES notation for 1-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(2-piperidin-1-ylethyl)urea?
The canonical SMILES for 1-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(2-piperidin-1-ylethyl)urea is O=C(NCCN1CCCCC1)Nc1ncn(C2CCCCC2)n1.
What is the InChIKey of 1-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(2-piperidin-1-ylethyl)urea?
The InChIKey is YYMBCPHOXZEYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6O/c23-16(17-9-12-21-10-5-2-6-11-21)19-15-18-13-22(20-15)14-7-3-1-4-8-14/h13-14H,1-12H2,(H2,17,19,20,23).
What are the key properties of 1-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(2-piperidin-1-ylethyl)urea?
1-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(2-piperidin-1-ylethyl)urea has a molecular weight of 320.44 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(2-piperidin-1-ylethyl)urea is sourced from PubChem (CID 126787239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).