N-cyclopentyl-3-[[N-methyl-C-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]carbonimidoyl]amino]propanamide

C18H29N7O2 — CID 109432847

IUPACN-cyclopentyl-3-[[N-methyl-C-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]carbonimidoyl]amino]propanamide
SMILESC/N=C(\NCCC(=O)NC1CCCC1)N1CCN(c2cnn(C)c2)C(=O)C1
InChIInChI=1S/C18H29N7O2/c1-19-18(20-8-7-16(26)22-14-5-3-4-6-14)24-9-10-25(17(27)13-24)15-11-21-23(2)12-15/h11-12,14H,3-10,13H2,1-2H3,(H,19,20)(H,22,26)
InChIKeyHMCBXTQNJVDHGN-UHFFFAOYSA-N
MW375.48 g/mol
LogP0.09
Rot. Bonds5

About N-cyclopentyl-3-[[N-methyl-C-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]carbonimidoyl]amino]propanamide

N-cyclopentyl-3-[[N-methyl-C-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]carbonimidoyl]amino]propanamide (PubChem CID 109432847) has the molecular formula C18H29N7O2 and a molecular weight of 375.48 g/mol. Its IUPAC name is N-cyclopentyl-3-[[N-methyl-C-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]carbonimidoyl]amino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[[N-methyl-C-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]carbonimidoyl]amino]propanamide
PubChem CID109432847
Molecular FormulaC18H29N7O2
Molecular Weight375.48 g/mol
Exact Mass375.24
IUPAC NameN-cyclopentyl-3-[[N-methyl-C-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]carbonimidoyl]amino]propanamide
SMILESC/N=C(\NCCC(=O)NC1CCCC1)N1CCN(c2cnn(C)c2)C(=O)C1
InChIInChI=1S/C18H29N7O2/c1-19-18(20-8-7-16(26)22-14-5-3-4-6-14)24-9-10-25(17(27)13-24)15-11-21-23(2)12-15/h11-12,14H,3-10,13H2,1-2H3,(H,19,20)(H,22,26)
InChIKeyHMCBXTQNJVDHGN-UHFFFAOYSA-N
XLogP0.09
TPSA94.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-2-[[N-methyl-C-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]carbonimidoyl]amino]acetamide
CID 109436435
3-[[N-methyl-C-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]carbonimidoyl]amino]-N-propylpropanamide
CID 109433225
3-[[N-methyl-C-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]carbonimidoyl]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 109433270
N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-N-propylpiperazine-1-carboximidamide
CID 109433357
N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-N-propylpiperazine-1-carboximidamide;hydroiodide
CID 109433356
N-cyclopropyl-4-[[ethylamino-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]methylidene]amino]butanamide
CID 109433467
N'-methyl-N-[4-(2-methylpiperidin-1-yl)butyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 109436026
2-[[N-methyl-C-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]carbonimidoyl]amino]-N-propylacetamide
CID 109433315
N'-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109436029
N-[2-cyclohexyl-2-(dimethylamino)ethyl]-N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109432829
2-[[N-methyl-C-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]carbonimidoyl]amino]-N-propylacetamide;hydroiodide
CID 109433314
N-hexyl-N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109435527

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[[N-methyl-C-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]carbonimidoyl]amino]propanamide?
The IUPAC name of N-cyclopentyl-3-[[N-methyl-C-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]carbonimidoyl]amino]propanamide (CID 109432847) is N-cyclopentyl-3-[[N-methyl-C-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]carbonimidoyl]amino]propanamide.
What is the SMILES notation for N-cyclopentyl-3-[[N-methyl-C-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]carbonimidoyl]amino]propanamide?
The canonical SMILES for N-cyclopentyl-3-[[N-methyl-C-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]carbonimidoyl]amino]propanamide is C/N=C(\NCCC(=O)NC1CCCC1)N1CCN(c2cnn(C)c2)C(=O)C1.
What is the InChIKey of N-cyclopentyl-3-[[N-methyl-C-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]carbonimidoyl]amino]propanamide?
The InChIKey is HMCBXTQNJVDHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N7O2/c1-19-18(20-8-7-16(26)22-14-5-3-4-6-14)24-9-10-25(17(27)13-24)15-11-21-23(2)12-15/h11-12,14H,3-10,13H2,1-2H3,(H,19,20)(H,22,26).
What are the key properties of N-cyclopentyl-3-[[N-methyl-C-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]carbonimidoyl]amino]propanamide?
N-cyclopentyl-3-[[N-methyl-C-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]carbonimidoyl]amino]propanamide has a molecular weight of 375.48 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[[N-methyl-C-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]carbonimidoyl]amino]propanamide is sourced from PubChem (CID 109432847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).