4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide

C15H26N6O2 — CID 60616938

IUPAC4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide
SMILESCCC(C)NC(=O)CN1CCN(C(=O)Nc2ccn(C)n2)CC1
InChIInChI=1S/C15H26N6O2/c1-4-12(2)16-14(22)11-20-7-9-21(10-8-20)15(23)17-13-5-6-19(3)18-13/h5-6,12H,4,7-11H2,1-3H3,(H,16,22)(H,17,18,23)
InChIKeyXIMUQXJASNFYST-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.48
Rot. Bonds5

About 4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide

4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide (PubChem CID 60616938) has the molecular formula C15H26N6O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide
PubChem CID60616938
Molecular FormulaC15H26N6O2
Molecular Weight322.41 g/mol
Exact Mass322.21
IUPAC Name4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide
SMILESCCC(C)NC(=O)CN1CCN(C(=O)Nc2ccn(C)n2)CC1
InChIInChI=1S/C15H26N6O2/c1-4-12(2)16-14(22)11-20-7-9-21(10-8-20)15(23)17-13-5-6-19(3)18-13/h5-6,12H,4,7-11H2,1-3H3,(H,16,22)(H,17,18,23)
InChIKeyXIMUQXJASNFYST-UHFFFAOYSA-N
XLogP0.48
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[(1-methylpyrazol-3-yl)carbamoyl]piperazine-1-carboxylate
CID 60617047
N-butan-2-yl-2-[(1-methylpyrazol-3-yl)amino]acetamide
CID 79779691
N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide
CID 131036172
4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(4-methylsulfonylphenyl)piperazine-1-carboxamide
CID 55695436
2-(4-aminopiperidin-1-yl)-N-(1-methylpyrazol-3-yl)acetamide
CID 79327473
4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 55696263
4-[2-(butan-2-ylamino)-2-oxoethyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 55697418
4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(2-methyl-5-methylsulfonylphenyl)piperazine-1-carboxamide
CID 55698762
N-(1-methylpyrazol-3-yl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86916240
N-butan-2-yl-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetamide
CID 134049016
N-(1-methylpyrazol-3-yl)-2-[4-(thian-4-yl)piperazin-1-yl]acetamide
CID 91833419
N-butan-2-yl-2-[4-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperazin-1-yl]acetamide
CID 55563654

Frequently Asked Questions

What is the IUPAC name of 4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide?
The IUPAC name of 4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide (CID 60616938) is 4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide is CCC(C)NC(=O)CN1CCN(C(=O)Nc2ccn(C)n2)CC1.
What is the InChIKey of 4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide?
The InChIKey is XIMUQXJASNFYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O2/c1-4-12(2)16-14(22)11-20-7-9-21(10-8-20)15(23)17-13-5-6-19(3)18-13/h5-6,12H,4,7-11H2,1-3H3,(H,16,22)(H,17,18,23).
What are the key properties of 4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide?
4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 60616938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).