1-[2-[4-(cyclohexylmethyl)piperazin-1-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide

C19H34N6O — CID 45218907

IUPAC1-[2-[4-(cyclohexylmethyl)piperazin-1-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
SMILESCC(C)NC(=O)c1cn(CCN2CCN(CC3CCCCC3)CC2)nn1
InChIInChI=1S/C19H34N6O/c1-16(2)20-19(26)18-15-25(22-21-18)13-12-23-8-10-24(11-9-23)14-17-6-4-3-5-7-17/h15-17H,3-14H2,1-2H3,(H,20,26)
InChIKeyQDDYBCGTUBNKOW-UHFFFAOYSA-N
MW362.52 g/mol
LogP1.61
Rot. Bonds7

About 1-[2-[4-(cyclohexylmethyl)piperazin-1-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide

1-[2-[4-(cyclohexylmethyl)piperazin-1-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide (PubChem CID 45218907) has the molecular formula C19H34N6O and a molecular weight of 362.52 g/mol. Its IUPAC name is 1-[2-[4-(cyclohexylmethyl)piperazin-1-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-[4-(cyclohexylmethyl)piperazin-1-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
PubChem CID45218907
Molecular FormulaC19H34N6O
Molecular Weight362.52 g/mol
Exact Mass362.28
IUPAC Name1-[2-[4-(cyclohexylmethyl)piperazin-1-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
SMILESCC(C)NC(=O)c1cn(CCN2CCN(CC3CCCCC3)CC2)nn1
InChIInChI=1S/C19H34N6O/c1-16(2)20-19(26)18-15-25(22-21-18)13-12-23-8-10-24(11-9-23)14-17-6-4-3-5-7-17/h15-17H,3-14H2,1-2H3,(H,20,26)
InChIKeyQDDYBCGTUBNKOW-UHFFFAOYSA-N
XLogP1.61
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(cyclopentylmethyl)-N-(cyclopropylmethyl)triazole-4-carboxamide
CID 163349645
N-propan-2-yl-1-[2-[4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperazin-1-yl]ethyl]triazole-4-carboxamide
CID 29086012
1-[2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 26337994
1-[2-(4-ethoxypiperidin-1-yl)ethyl]triazole-4-carbohydrazide
CID 63573572
1-[2-[(2S)-1-(cyclobutanecarbonyl)piperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 26324957
1-[2-[4-[1-(2-methoxyphenyl)propan-2-yl]piperazin-1-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 45229473
1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]triazole-4-carbohydrazide
CID 55214791
1-[2-[4-[3-(2-methoxyphenyl)prop-2-enyl]piperazin-1-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 85479677
2-[1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]piperidin-4-yl]acetamide
CID 63579535
1-[2-[(2S)-1-(dimethylsulfamoyl)piperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 26403188
methyl 1-[2-(4-methylpiperazin-1-yl)ethyl]triazole-4-carboxylate
CID 103107571
1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 130468342

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(cyclohexylmethyl)piperazin-1-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide?
The IUPAC name of 1-[2-[4-(cyclohexylmethyl)piperazin-1-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide (CID 45218907) is 1-[2-[4-(cyclohexylmethyl)piperazin-1-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide.
What is the SMILES notation for 1-[2-[4-(cyclohexylmethyl)piperazin-1-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide?
The canonical SMILES for 1-[2-[4-(cyclohexylmethyl)piperazin-1-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide is CC(C)NC(=O)c1cn(CCN2CCN(CC3CCCCC3)CC2)nn1.
What is the InChIKey of 1-[2-[4-(cyclohexylmethyl)piperazin-1-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide?
The InChIKey is QDDYBCGTUBNKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N6O/c1-16(2)20-19(26)18-15-25(22-21-18)13-12-23-8-10-24(11-9-23)14-17-6-4-3-5-7-17/h15-17H,3-14H2,1-2H3,(H,20,26).
What are the key properties of 1-[2-[4-(cyclohexylmethyl)piperazin-1-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide?
1-[2-[4-(cyclohexylmethyl)piperazin-1-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide has a molecular weight of 362.52 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(cyclohexylmethyl)piperazin-1-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide is sourced from PubChem (CID 45218907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).