N-(cyclohexylmethyl)-2-[4-(4,5-dimethyl-1,2,4-triazol-3-yl)piperazin-1-yl]acetamide

C17H30N6O — CID 126829519

IUPACN-(cyclohexylmethyl)-2-[4-(4,5-dimethyl-1,2,4-triazol-3-yl)piperazin-1-yl]acetamide
SMILESCc1nnc(N2CCN(CC(=O)NCC3CCCCC3)CC2)n1C
InChIInChI=1S/C17H30N6O/c1-14-19-20-17(21(14)2)23-10-8-22(9-11-23)13-16(24)18-12-15-6-4-3-5-7-15/h15H,3-13H2,1-2H3,(H,18,24)
InChIKeyOPFXDQSVEGMLTP-UHFFFAOYSA-N
MW334.47 g/mol
LogP0.94
Rot. Bonds5

About N-(cyclohexylmethyl)-2-[4-(4,5-dimethyl-1,2,4-triazol-3-yl)piperazin-1-yl]acetamide

N-(cyclohexylmethyl)-2-[4-(4,5-dimethyl-1,2,4-triazol-3-yl)piperazin-1-yl]acetamide (PubChem CID 126829519) has the molecular formula C17H30N6O and a molecular weight of 334.47 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[4-(4,5-dimethyl-1,2,4-triazol-3-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[4-(4,5-dimethyl-1,2,4-triazol-3-yl)piperazin-1-yl]acetamide
PubChem CID126829519
Molecular FormulaC17H30N6O
Molecular Weight334.47 g/mol
Exact Mass334.25
IUPAC NameN-(cyclohexylmethyl)-2-[4-(4,5-dimethyl-1,2,4-triazol-3-yl)piperazin-1-yl]acetamide
SMILESCc1nnc(N2CCN(CC(=O)NCC3CCCCC3)CC2)n1C
InChIInChI=1S/C17H30N6O/c1-14-19-20-17(21(14)2)23-10-8-22(9-11-23)13-16(24)18-12-15-6-4-3-5-7-15/h15H,3-13H2,1-2H3,(H,18,24)
InChIKeyOPFXDQSVEGMLTP-UHFFFAOYSA-N
XLogP0.94
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 1459544
1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 119907812
2-(4-benzylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide
CID 31127901
N-(cyclopropylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 32847121
N-(cyclohexylmethyl)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 24591496
N-(cyclohexylmethyl)-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]acetamide
CID 86908445
2-(4-benzoylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide
CID 9223532
2-[acetyl-[(4S)-1-[2-(cyclohexylmethylamino)-2-oxoethyl]azepan-4-yl]amino]acetic acid
CID 129325101
N-(cyclobutylmethyl)-2-piperazin-1-ylacetamide
CID 43298878
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(cyclohexylmethyl)acetamide
CID 9434473
N-(cyclobutylmethyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 47284297
2-[4-(3-cyano-2-pyridinyl)-1,4-diazepan-1-yl]-N-(cyclohexylmethyl)acetamide
CID 47541975

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[4-(4,5-dimethyl-1,2,4-triazol-3-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[4-(4,5-dimethyl-1,2,4-triazol-3-yl)piperazin-1-yl]acetamide (CID 126829519) is N-(cyclohexylmethyl)-2-[4-(4,5-dimethyl-1,2,4-triazol-3-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[4-(4,5-dimethyl-1,2,4-triazol-3-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[4-(4,5-dimethyl-1,2,4-triazol-3-yl)piperazin-1-yl]acetamide is Cc1nnc(N2CCN(CC(=O)NCC3CCCCC3)CC2)n1C.
What is the InChIKey of N-(cyclohexylmethyl)-2-[4-(4,5-dimethyl-1,2,4-triazol-3-yl)piperazin-1-yl]acetamide?
The InChIKey is OPFXDQSVEGMLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O/c1-14-19-20-17(21(14)2)23-10-8-22(9-11-23)13-16(24)18-12-15-6-4-3-5-7-15/h15H,3-13H2,1-2H3,(H,18,24).
What are the key properties of N-(cyclohexylmethyl)-2-[4-(4,5-dimethyl-1,2,4-triazol-3-yl)piperazin-1-yl]acetamide?
N-(cyclohexylmethyl)-2-[4-(4,5-dimethyl-1,2,4-triazol-3-yl)piperazin-1-yl]acetamide has a molecular weight of 334.47 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[4-(4,5-dimethyl-1,2,4-triazol-3-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 126829519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).