N-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide

C16H23N5O2 — CID 97075643

IUPACN-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide
SMILESCn1cc(N2CCN(C(=O)NC[C@H]3CC=CCC3)CC2=O)cn1
InChIInChI=1S/C16H23N5O2/c1-19-11-14(10-18-19)21-8-7-20(12-15(21)22)16(23)17-9-13-5-3-2-4-6-13/h2-3,10-11,13H,4-9,12H2,1H3,(H,17,23)/t13-/m0/s1
InChIKeyDPBKBYMJELGRFZ-ZDUSSCGKSA-N
MW317.39 g/mol
LogP1.13
Rot. Bonds3

About N-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide

N-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide (PubChem CID 97075643) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide
PubChem CID97075643
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC NameN-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide
SMILESCn1cc(N2CCN(C(=O)NC[C@H]3CC=CCC3)CC2=O)cn1
InChIInChI=1S/C16H23N5O2/c1-19-11-14(10-18-19)21-8-7-20(12-15(21)22)16(23)17-9-13-5-3-2-4-6-13/h2-3,10-11,13H,4-9,12H2,1H3,(H,17,23)/t13-/m0/s1
InChIKeyDPBKBYMJELGRFZ-ZDUSSCGKSA-N
XLogP1.13
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methylcyclohexyl)-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide
CID 75408355
N-[(3-chlorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide
CID 71924052
4-(3-aminocyclopentanecarbonyl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 119793437
N-(cyclohex-3-en-1-ylmethyl)-3,5-dimethylpiperidine-1-carboxamide
CID 60593450
N-ethyl-4-(1-methylpyrazol-4-yl)-N'-[(1-methylpyrrolidin-3-yl)methyl]-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 109435248
4-[(1R,3S)-3-aminocyclohexanecarbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 124696393
N'-methyl-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109432565
N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-N-propylpiperazine-1-carboximidamide
CID 109433357
N-cyclohexyl-2-[[N-methyl-C-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]carbonimidoyl]amino]acetamide
CID 109436435
N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-N-propylpiperazine-1-carboximidamide;hydroiodide
CID 109433356
N-(2,2-difluoroethyl)-N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109434389
N'-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109436029

Frequently Asked Questions

What is the IUPAC name of N-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide?
The IUPAC name of N-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide (CID 97075643) is N-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for N-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide?
The canonical SMILES for N-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide is Cn1cc(N2CCN(C(=O)NC[C@H]3CC=CCC3)CC2=O)cn1.
What is the InChIKey of N-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide?
The InChIKey is DPBKBYMJELGRFZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-19-11-14(10-18-19)21-8-7-20(12-15(21)22)16(23)17-9-13-5-3-2-4-6-13/h2-3,10-11,13H,4-9,12H2,1H3,(H,17,23)/t13-/m0/s1.
What are the key properties of N-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide?
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 97075643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).