1-[2-(2-methylpiperidin-1-yl)propyl]-3-[3-(1,2,4-triazol-1-yl)propyl]urea

C15H28N6O — CID 71894819

IUPAC1-[2-(2-methylpiperidin-1-yl)propyl]-3-[3-(1,2,4-triazol-1-yl)propyl]urea
SMILESCC1CCCCN1C(C)CNC(=O)NCCCn1cncn1
InChIInChI=1S/C15H28N6O/c1-13-6-3-4-9-21(13)14(2)10-18-15(22)17-7-5-8-20-12-16-11-19-20/h11-14H,3-10H2,1-2H3,(H2,17,18,22)
InChIKeyICXJUISQXYPCLE-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.23
Rot. Bonds7

About 1-[2-(2-methylpiperidin-1-yl)propyl]-3-[3-(1,2,4-triazol-1-yl)propyl]urea

1-[2-(2-methylpiperidin-1-yl)propyl]-3-[3-(1,2,4-triazol-1-yl)propyl]urea (PubChem CID 71894819) has the molecular formula C15H28N6O and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-[2-(2-methylpiperidin-1-yl)propyl]-3-[3-(1,2,4-triazol-1-yl)propyl]urea.

Molecular Properties

Compound Name1-[2-(2-methylpiperidin-1-yl)propyl]-3-[3-(1,2,4-triazol-1-yl)propyl]urea
PubChem CID71894819
Molecular FormulaC15H28N6O
Molecular Weight308.43 g/mol
Exact Mass308.23
IUPAC Name1-[2-(2-methylpiperidin-1-yl)propyl]-3-[3-(1,2,4-triazol-1-yl)propyl]urea
SMILESCC1CCCCN1C(C)CNC(=O)NCCCn1cncn1
InChIInChI=1S/C15H28N6O/c1-13-6-3-4-9-21(13)14(2)10-18-15(22)17-7-5-8-20-12-16-11-19-20/h11-14H,3-10H2,1-2H3,(H2,17,18,22)
InChIKeyICXJUISQXYPCLE-UHFFFAOYSA-N
XLogP1.23
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 45823979
N-(2-piperidin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 45893430
3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-carboxamide
CID 53498427
N-[3-(1,2,4-triazol-1-yl)propyl]azepane-1-carboxamide
CID 53498860
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-(1-ethylpiperidin-4-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 53587759
N-(2-acetamidoethyl)-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 56802650
N-[2-(azepan-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 71897383
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 71898049

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpiperidin-1-yl)propyl]-3-[3-(1,2,4-triazol-1-yl)propyl]urea?
The IUPAC name of 1-[2-(2-methylpiperidin-1-yl)propyl]-3-[3-(1,2,4-triazol-1-yl)propyl]urea (CID 71894819) is 1-[2-(2-methylpiperidin-1-yl)propyl]-3-[3-(1,2,4-triazol-1-yl)propyl]urea.
What is the SMILES notation for 1-[2-(2-methylpiperidin-1-yl)propyl]-3-[3-(1,2,4-triazol-1-yl)propyl]urea?
The canonical SMILES for 1-[2-(2-methylpiperidin-1-yl)propyl]-3-[3-(1,2,4-triazol-1-yl)propyl]urea is CC1CCCCN1C(C)CNC(=O)NCCCn1cncn1.
What is the InChIKey of 1-[2-(2-methylpiperidin-1-yl)propyl]-3-[3-(1,2,4-triazol-1-yl)propyl]urea?
The InChIKey is ICXJUISQXYPCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6O/c1-13-6-3-4-9-21(13)14(2)10-18-15(22)17-7-5-8-20-12-16-11-19-20/h11-14H,3-10H2,1-2H3,(H2,17,18,22).
What are the key properties of 1-[2-(2-methylpiperidin-1-yl)propyl]-3-[3-(1,2,4-triazol-1-yl)propyl]urea?
1-[2-(2-methylpiperidin-1-yl)propyl]-3-[3-(1,2,4-triazol-1-yl)propyl]urea has a molecular weight of 308.43 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpiperidin-1-yl)propyl]-3-[3-(1,2,4-triazol-1-yl)propyl]urea is sourced from PubChem (CID 71894819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).