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

C17H27N5O2 — CID 45173210

IUPACN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
SMILESCC(C)N1CCNC(=O)C1CC(=O)N(C)Cc1cc(C2CC2)n[nH]1
InChIInChI=1S/C17H27N5O2/c1-11(2)22-7-6-18-17(24)15(22)9-16(23)21(3)10-13-8-14(20-19-13)12-4-5-12/h8,11-12,15H,4-7,9-10H2,1-3H3,(H,18,24)(H,19,20)
InChIKeyNNCXHEKDGDZFPD-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.84
Rot. Bonds6

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

N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide (PubChem CID 45173210) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
PubChem CID45173210
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC NameN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
SMILESCC(C)N1CCNC(=O)C1CC(=O)N(C)Cc1cc(C2CC2)n[nH]1
InChIInChI=1S/C17H27N5O2/c1-11(2)22-7-6-18-17(24)15(22)9-16(23)21(3)10-13-8-14(20-19-13)12-4-5-12/h8,11-12,15H,4-7,9-10H2,1-3H3,(H,18,24)(H,19,20)
InChIKeyNNCXHEKDGDZFPD-UHFFFAOYSA-N
XLogP0.84
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-methyl-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-(quinolin-3-ylmethyl)acetamide
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N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
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N-(2-hydroxyethyl)-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-propylacetamide
CID 50950533
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-propan-2-ylacetamide
CID 56895504
N-[2-(azepan-1-yl)ethyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-propan-2-ylacetamide
CID 95124995
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CID 56887934
N-[(4-fluorophenyl)methyl]-N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide
CID 45180905
N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 95729488
2-[1-[1-(3,4-dichlorophenyl)ethyl]-3-oxopiperazin-2-yl]acetic acid
CID 65071356
N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 95126653
2-[(2S)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 25452555

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide?
The IUPAC name of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide (CID 45173210) is N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide.
What is the SMILES notation for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide?
The canonical SMILES for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide is CC(C)N1CCNC(=O)C1CC(=O)N(C)Cc1cc(C2CC2)n[nH]1.
What is the InChIKey of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide?
The InChIKey is NNCXHEKDGDZFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-11(2)22-7-6-18-17(24)15(22)9-16(23)21(3)10-13-8-14(20-19-13)12-4-5-12/h8,11-12,15H,4-7,9-10H2,1-3H3,(H,18,24)(H,19,20).
What are the key properties of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide?
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide has a molecular weight of 333.44 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide is sourced from PubChem (CID 45173210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).