2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide

C21H35N5O2 — CID 45226912

IUPAC2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide
SMILESCCn1nc(C)c(CNC(=O)CC2C(=O)NCCN2CC2CCCCC2)c1C
InChIInChI=1S/C21H35N5O2/c1-4-26-16(3)18(15(2)24-26)13-23-20(27)12-19-21(28)22-10-11-25(19)14-17-8-6-5-7-9-17/h17,19H,4-14H2,1-3H3,(H,22,28)(H,23,27)
InChIKeyVJUJUOGUQNSHFR-UHFFFAOYSA-N
MW389.54 g/mol
LogP1.91
Rot. Bonds7

About 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide

2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide (PubChem CID 45226912) has the molecular formula C21H35N5O2 and a molecular weight of 389.54 g/mol. Its IUPAC name is 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide
PubChem CID45226912
Molecular FormulaC21H35N5O2
Molecular Weight389.54 g/mol
Exact Mass389.28
IUPAC Name2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide
SMILESCCn1nc(C)c(CNC(=O)CC2C(=O)NCCN2CC2CCCCC2)c1C
InChIInChI=1S/C21H35N5O2/c1-4-26-16(3)18(15(2)24-26)13-23-20(27)12-19-21(28)22-10-11-25(19)14-17-8-6-5-7-9-17/h17,19H,4-14H2,1-3H3,(H,22,28)(H,23,27)
InChIKeyVJUJUOGUQNSHFR-UHFFFAOYSA-N
XLogP1.91
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide
CID 45231403
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
2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]acetamide
CID 95726259
2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]acetamide
CID 56911291
2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]acetamide
CID 95722212
2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 45216041
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]cyclobutanecarboxamide
CID 4305269
2-[(2S)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 95724432
(3S)-3-ethoxy-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 95189549
2-(1-ethyl-3-oxopiperazin-2-yl)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide
CID 118784151
2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]acetamide
CID 56855032

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide (CID 45226912) is 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide is CCn1nc(C)c(CNC(=O)CC2C(=O)NCCN2CC2CCCCC2)c1C.
What is the InChIKey of 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide?
The InChIKey is VJUJUOGUQNSHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O2/c1-4-26-16(3)18(15(2)24-26)13-23-20(27)12-19-21(28)22-10-11-25(19)14-17-8-6-5-7-9-17/h17,19H,4-14H2,1-3H3,(H,22,28)(H,23,27).
What are the key properties of 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide?
2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide has a molecular weight of 389.54 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 45226912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).