N-butan-2-yl-2-[4-[1-(4-methylphenyl)triazole-4-carbonyl]piperazin-1-yl]acetamide

C20H28N6O2 — CID 86985701

IUPACN-butan-2-yl-2-[4-[1-(4-methylphenyl)triazole-4-carbonyl]piperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(C(=O)c2cn(-c3ccc(C)cc3)nn2)CC1
InChIInChI=1S/C20H28N6O2/c1-4-16(3)21-19(27)14-24-9-11-25(12-10-24)20(28)18-13-26(23-22-18)17-7-5-15(2)6-8-17/h5-8,13,16H,4,9-12,14H2,1-3H3,(H,21,27)
InChIKeyKGAIDZJZUAEPMI-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.25
Rot. Bonds6

About N-butan-2-yl-2-[4-[1-(4-methylphenyl)triazole-4-carbonyl]piperazin-1-yl]acetamide

N-butan-2-yl-2-[4-[1-(4-methylphenyl)triazole-4-carbonyl]piperazin-1-yl]acetamide (PubChem CID 86985701) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-[1-(4-methylphenyl)triazole-4-carbonyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-[1-(4-methylphenyl)triazole-4-carbonyl]piperazin-1-yl]acetamide
PubChem CID86985701
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC NameN-butan-2-yl-2-[4-[1-(4-methylphenyl)triazole-4-carbonyl]piperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(C(=O)c2cn(-c3ccc(C)cc3)nn2)CC1
InChIInChI=1S/C20H28N6O2/c1-4-16(3)21-19(27)14-24-9-11-25(12-10-24)20(28)18-13-26(23-22-18)17-7-5-15(2)6-8-17/h5-8,13,16H,4,9-12,14H2,1-3H3,(H,21,27)
InChIKeyKGAIDZJZUAEPMI-UHFFFAOYSA-N
XLogP1.25
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-butan-2-yl-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetamide
CID 134049016
[4-(3-methylphenyl)piperazin-1-yl]-(1-phenyltriazol-4-yl)methanone
CID 46407910
N-[(2R)-butan-2-yl]-2-[4-(3-chlorobenzoyl)piperazin-1-yl]acetamide
CID 32665716
2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide
CID 134043822
N-butan-2-yl-2-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]acetamide
CID 55564403
N-butan-2-yl-2-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]acetamide
CID 134043905
1-(4-methylphenyl)triazole-4-carbonyl chloride
CID 71320958
N-butan-2-yl-2-[4-(2,4-dichloro-6-hydroxybenzoyl)piperazin-1-yl]acetamide
CID 146091593
4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 55696263
[4-(1-aminoethyl)piperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone;hydrochloride
CID 119518752
N-butan-2-yl-2-[4-(3-cyanobenzoyl)piperazin-1-yl]acetamide
CID 134043760
N-butan-2-yl-2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]acetamide
CID 42949565

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-[1-(4-methylphenyl)triazole-4-carbonyl]piperazin-1-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[4-[1-(4-methylphenyl)triazole-4-carbonyl]piperazin-1-yl]acetamide (CID 86985701) is N-butan-2-yl-2-[4-[1-(4-methylphenyl)triazole-4-carbonyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[4-[1-(4-methylphenyl)triazole-4-carbonyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[4-[1-(4-methylphenyl)triazole-4-carbonyl]piperazin-1-yl]acetamide is CCC(C)NC(=O)CN1CCN(C(=O)c2cn(-c3ccc(C)cc3)nn2)CC1.
What is the InChIKey of N-butan-2-yl-2-[4-[1-(4-methylphenyl)triazole-4-carbonyl]piperazin-1-yl]acetamide?
The InChIKey is KGAIDZJZUAEPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-4-16(3)21-19(27)14-24-9-11-25(12-10-24)20(28)18-13-26(23-22-18)17-7-5-15(2)6-8-17/h5-8,13,16H,4,9-12,14H2,1-3H3,(H,21,27).
What are the key properties of N-butan-2-yl-2-[4-[1-(4-methylphenyl)triazole-4-carbonyl]piperazin-1-yl]acetamide?
N-butan-2-yl-2-[4-[1-(4-methylphenyl)triazole-4-carbonyl]piperazin-1-yl]acetamide has a molecular weight of 384.48 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-[1-(4-methylphenyl)triazole-4-carbonyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 86985701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).