2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]acetamide

C17H23N5O2S — CID 50973484

IUPAC2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]acetamide
SMILESCC(C)N1CCNC(=O)C1CC(=O)NCc1cn[nH]c1-c1cccs1
InChIInChI=1S/C17H23N5O2S/c1-11(2)22-6-5-18-17(24)13(22)8-15(23)19-9-12-10-20-21-16(12)14-4-3-7-25-14/h3-4,7,10-11,13H,5-6,8-9H2,1-2H3,(H,18,24)(H,19,23)(H,20,21)
InChIKeyNLUGZMJDNXSKKZ-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.35
Rot. Bonds6

About 2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]acetamide

2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]acetamide (PubChem CID 50973484) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]acetamide
PubChem CID50973484
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]acetamide
SMILESCC(C)N1CCNC(=O)C1CC(=O)NCc1cn[nH]c1-c1cccs1
InChIInChI=1S/C17H23N5O2S/c1-11(2)22-6-5-18-17(24)13(22)8-15(23)19-9-12-10-20-21-16(12)14-4-3-7-25-14/h3-4,7,10-11,13H,5-6,8-9H2,1-2H3,(H,18,24)(H,19,23)(H,20,21)
InChIKeyNLUGZMJDNXSKKZ-UHFFFAOYSA-N
XLogP1.35
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,6-dimethoxyphenyl)methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 42241907
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
CID 50959250
2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 137098586
2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 25381744
2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanoic acid
CID 54959684
2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 56896917
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 125174351
N-tert-butyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]acetamide;hydrochloride
CID 86776335
(2R)-2-pyrazol-1-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butanamide
CID 97155443
N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 95126653
(2S)-2-pyrazol-1-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butanamide
CID 97155442
2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 124854636

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]acetamide (CID 50973484) is 2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]acetamide is CC(C)N1CCNC(=O)C1CC(=O)NCc1cn[nH]c1-c1cccs1.
What is the InChIKey of 2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]acetamide?
The InChIKey is NLUGZMJDNXSKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-11(2)22-6-5-18-17(24)13(22)8-15(23)19-9-12-10-20-21-16(12)14-4-3-7-25-14/h3-4,7,10-11,13H,5-6,8-9H2,1-2H3,(H,18,24)(H,19,23)(H,20,21).
What are the key properties of 2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]acetamide?
2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]acetamide has a molecular weight of 361.47 g/mol, XLogP of 1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 50973484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).