N-[2-(butylamino)-2-oxoethyl]-N-methyl-2-(5-piperidin-3-ylpyrazol-1-yl)acetamide

C17H29N5O2 — CID 119058801

IUPACN-[2-(butylamino)-2-oxoethyl]-N-methyl-2-(5-piperidin-3-ylpyrazol-1-yl)acetamide
SMILESCCCCNC(=O)CN(C)C(=O)Cn1nccc1C1CCCNC1
InChIInChI=1S/C17H29N5O2/c1-3-4-9-19-16(23)12-21(2)17(24)13-22-15(7-10-20-22)14-6-5-8-18-11-14/h7,10,14,18H,3-6,8-9,11-13H2,1-2H3,(H,19,23)
InChIKeyURURMNLJNBQWQZ-UHFFFAOYSA-N
MW335.45 g/mol
LogP0.72
Rot. Bonds8

About N-[2-(butylamino)-2-oxoethyl]-N-methyl-2-(5-piperidin-3-ylpyrazol-1-yl)acetamide

N-[2-(butylamino)-2-oxoethyl]-N-methyl-2-(5-piperidin-3-ylpyrazol-1-yl)acetamide (PubChem CID 119058801) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[2-(butylamino)-2-oxoethyl]-N-methyl-2-(5-piperidin-3-ylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(butylamino)-2-oxoethyl]-N-methyl-2-(5-piperidin-3-ylpyrazol-1-yl)acetamide
PubChem CID119058801
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC NameN-[2-(butylamino)-2-oxoethyl]-N-methyl-2-(5-piperidin-3-ylpyrazol-1-yl)acetamide
SMILESCCCCNC(=O)CN(C)C(=O)Cn1nccc1C1CCCNC1
InChIInChI=1S/C17H29N5O2/c1-3-4-9-19-16(23)12-21(2)17(24)13-22-15(7-10-20-22)14-6-5-8-18-11-14/h7,10,14,18H,3-6,8-9,11-13H2,1-2H3,(H,19,23)
InChIKeyURURMNLJNBQWQZ-UHFFFAOYSA-N
XLogP0.72
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.72
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-benzyl-N-ethyl-2-(5-piperidin-3-ylpyrazol-1-yl)acetamide
CID 119069345
N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126445012
N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126445011
N-(2-piperidin-1-ylethyl)-2-(5-piperidin-3-ylpyrazol-1-yl)acetamide
CID 119074986
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126452950
N-butyl-2-(5-piperidin-3-ylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride
CID 154905007
N-methyl-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide
CID 126440496
4-fluoro-N-[2-[[2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetyl]amino]ethyl]benzamide
CID 126431022
N-methyl-2-(5-piperidin-3-ylpyrazol-1-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide;hydrochloride
CID 154903847
2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 126443982
2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-(2-pyridin-3-ylethyl)acetamide
CID 126437725
N-[3-(2,3-dihydroindol-1-yl)propyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126454273

Frequently Asked Questions

What is the IUPAC name of N-[2-(butylamino)-2-oxoethyl]-N-methyl-2-(5-piperidin-3-ylpyrazol-1-yl)acetamide?
The IUPAC name of N-[2-(butylamino)-2-oxoethyl]-N-methyl-2-(5-piperidin-3-ylpyrazol-1-yl)acetamide (CID 119058801) is N-[2-(butylamino)-2-oxoethyl]-N-methyl-2-(5-piperidin-3-ylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(butylamino)-2-oxoethyl]-N-methyl-2-(5-piperidin-3-ylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[2-(butylamino)-2-oxoethyl]-N-methyl-2-(5-piperidin-3-ylpyrazol-1-yl)acetamide is CCCCNC(=O)CN(C)C(=O)Cn1nccc1C1CCCNC1.
What is the InChIKey of N-[2-(butylamino)-2-oxoethyl]-N-methyl-2-(5-piperidin-3-ylpyrazol-1-yl)acetamide?
The InChIKey is URURMNLJNBQWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-3-4-9-19-16(23)12-21(2)17(24)13-22-15(7-10-20-22)14-6-5-8-18-11-14/h7,10,14,18H,3-6,8-9,11-13H2,1-2H3,(H,19,23).
What are the key properties of N-[2-(butylamino)-2-oxoethyl]-N-methyl-2-(5-piperidin-3-ylpyrazol-1-yl)acetamide?
N-[2-(butylamino)-2-oxoethyl]-N-methyl-2-(5-piperidin-3-ylpyrazol-1-yl)acetamide has a molecular weight of 335.45 g/mol, XLogP of 0.72, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butylamino)-2-oxoethyl]-N-methyl-2-(5-piperidin-3-ylpyrazol-1-yl)acetamide is sourced from PubChem (CID 119058801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).