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

C18H31N5O2 — CID 95125941

IUPACN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
SMILESCC(C)N1CCNC(=O)[C@H]1CC(=O)N(C)Cc1cc(C(C)(C)C)n[nH]1
InChIInChI=1S/C18H31N5O2/c1-12(2)23-8-7-19-17(25)14(23)10-16(24)22(6)11-13-9-15(21-20-13)18(3,4)5/h9,12,14H,7-8,10-11H2,1-6H3,(H,19,25)(H,20,21)/t14-/m1/s1
InChIKeyKCTSIHHNKDFDDT-CQSZACIVSA-N
MW349.48 g/mol
LogP1.26
Rot. Bonds5

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

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide (PubChem CID 95125941) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
PubChem CID95125941
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
SMILESCC(C)N1CCNC(=O)[C@H]1CC(=O)N(C)Cc1cc(C(C)(C)C)n[nH]1
InChIInChI=1S/C18H31N5O2/c1-12(2)23-8-7-19-17(25)14(23)10-16(24)22(6)11-13-9-15(21-20-13)18(3,4)5/h9,12,14H,7-8,10-11H2,1-6H3,(H,19,25)(H,20,21)/t14-/m1/s1
InChIKeyKCTSIHHNKDFDDT-CQSZACIVSA-N
XLogP1.26
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
CID 45173210
N-methyl-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-(quinolin-3-ylmethyl)acetamide
CID 95209407
N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 56905914
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-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide
CID 56718362
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-methyl-N-(quinolin-2-ylmethyl)acetamide
CID 45194166
methyl 2-methyl-2-[[2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetyl]amino]propanoate
CID 95124713
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-methylacetamide
CID 91762359
N-[2-(azepan-1-yl)ethyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-propan-2-ylacetamide
CID 95124995
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide
CID 56864939
2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]-N,N-dimethylpropanamide
CID 56714451

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide?
The IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide (CID 95125941) is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide.
What is the SMILES notation for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide?
The canonical SMILES for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide is CC(C)N1CCNC(=O)[C@H]1CC(=O)N(C)Cc1cc(C(C)(C)C)n[nH]1.
What is the InChIKey of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide?
The InChIKey is KCTSIHHNKDFDDT-CQSZACIVSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-12(2)23-8-7-19-17(25)14(23)10-16(24)22(6)11-13-9-15(21-20-13)18(3,4)5/h9,12,14H,7-8,10-11H2,1-6H3,(H,19,25)(H,20,21)/t14-/m1/s1.
What are the key properties of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide?
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide has a molecular weight of 349.48 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide is sourced from PubChem (CID 95125941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).