2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]acetamide

C19H31N5O3 — CID 95726259

IUPAC2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]acetamide
SMILESCOCc1cc(CNC(=O)C[C@@H]2C(=O)NCCN2CC2CCCCC2)[nH]n1
InChIInChI=1S/C19H31N5O3/c1-27-13-16-9-15(22-23-16)11-21-18(25)10-17-19(26)20-7-8-24(17)12-14-5-3-2-4-6-14/h9,14,17H,2-8,10-13H2,1H3,(H,20,26)(H,21,25)(H,22,23)/t17-/m1/s1
InChIKeyADXBIIQXXORVNU-QGZVFWFLSA-N
MW377.49 g/mol
LogP0.94
Rot. Bonds8

About 2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]acetamide

2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]acetamide (PubChem CID 95726259) has the molecular formula C19H31N5O3 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]acetamide
PubChem CID95726259
Molecular FormulaC19H31N5O3
Molecular Weight377.49 g/mol
Exact Mass377.24
IUPAC Name2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]acetamide
SMILESCOCc1cc(CNC(=O)C[C@@H]2C(=O)NCCN2CC2CCCCC2)[nH]n1
InChIInChI=1S/C19H31N5O3/c1-27-13-16-9-15(22-23-16)11-21-18(25)10-17-19(26)20-7-8-24(17)12-14-5-3-2-4-6-14/h9,14,17H,2-8,10-13H2,1H3,(H,20,26)(H,21,25)(H,22,23)/t17-/m1/s1
InChIKeyADXBIIQXXORVNU-QGZVFWFLSA-N
XLogP0.94
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]acetamide
CID 56911291
2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide
CID 51597136
N'-cycloheptyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]butanediamide
CID 46989113
2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide
CID 45226912
2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 45216041
2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]acetamide
CID 45221880
2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]acetamide
CID 95725736
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2R)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetamide
CID 95716955
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-(2-oxoazepan-1-yl)propanamide
CID 131930494
2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]acetamide
CID 95722212
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[3-oxo-1-(pyridin-3-ylmethyl)piperazin-2-yl]acetamide
CID 45186541
(3S)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 126440384

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]acetamide?
The IUPAC name of 2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]acetamide (CID 95726259) is 2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]acetamide.
What is the SMILES notation for 2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]acetamide?
The canonical SMILES for 2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]acetamide is COCc1cc(CNC(=O)C[C@@H]2C(=O)NCCN2CC2CCCCC2)[nH]n1.
What is the InChIKey of 2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]acetamide?
The InChIKey is ADXBIIQXXORVNU-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H31N5O3/c1-27-13-16-9-15(22-23-16)11-21-18(25)10-17-19(26)20-7-8-24(17)12-14-5-3-2-4-6-14/h9,14,17H,2-8,10-13H2,1H3,(H,20,26)(H,21,25)(H,22,23)/t17-/m1/s1.
What are the key properties of 2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]acetamide?
2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]acetamide has a molecular weight of 377.49 g/mol, XLogP of 0.94, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]acetamide is sourced from PubChem (CID 95726259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).