2-[(1-acetylpiperidin-4-yl)methyl]-1-ethyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine

C20H35N7O — CID 119157214

IUPAC2-[(1-acetylpiperidin-4-yl)methyl]-1-ethyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine
SMILESCCN/C(=N\CC1CCN(C(C)=O)CC1)NC1CCCN(c2cnn(C)c2)C1
InChIInChI=1S/C20H35N7O/c1-4-21-20(22-12-17-7-10-26(11-8-17)16(2)28)24-18-6-5-9-27(14-18)19-13-23-25(3)15-19/h13,15,17-18H,4-12,14H2,1-3H3,(H2,21,22,24)
InChIKeyISMBNXRUDWJMPW-UHFFFAOYSA-N
MW389.55 g/mol
LogP1.20
Rot. Bonds5

About 2-[(1-acetylpiperidin-4-yl)methyl]-1-ethyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine

2-[(1-acetylpiperidin-4-yl)methyl]-1-ethyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine (PubChem CID 119157214) has the molecular formula C20H35N7O and a molecular weight of 389.55 g/mol. Its IUPAC name is 2-[(1-acetylpiperidin-4-yl)methyl]-1-ethyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine.

Molecular Properties

Compound Name2-[(1-acetylpiperidin-4-yl)methyl]-1-ethyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine
PubChem CID119157214
Molecular FormulaC20H35N7O
Molecular Weight389.55 g/mol
Exact Mass389.29
IUPAC Name2-[(1-acetylpiperidin-4-yl)methyl]-1-ethyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine
SMILESCCN/C(=N\CC1CCN(C(C)=O)CC1)NC1CCCN(c2cnn(C)c2)C1
InChIInChI=1S/C20H35N7O/c1-4-21-20(22-12-17-7-10-26(11-8-17)16(2)28)24-18-6-5-9-27(14-18)19-13-23-25(3)15-19/h13,15,17-18H,4-12,14H2,1-3H3,(H2,21,22,24)
InChIKeyISMBNXRUDWJMPW-UHFFFAOYSA-N
XLogP1.20
TPSA77.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.55
LogP ≤ 51.20
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'}

Analyze 2-[(1-acetylpiperidin-4-yl)methyl]-1-ethyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine 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-[2-[[ethylamino-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111997336
1-ethyl-2-[(1-hydroxycyclopentyl)methyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine
CID 111995439
1-ethyl-2-[(1-hydroxycyclohexyl)methyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine
CID 119152691
2-[[ethylamino-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide
CID 111995591
1-cyclobutyl-2-ethyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine;hydroiodide
CID 119154152
(3S)-3-(ethoxymethyl)-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrrolidine-1-carboxamide
CID 96569286
1-ethyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-(1-phenylpiperidin-3-yl)guanidine;hydroiodide
CID 109395423
2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-ethyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine;hydroiodide
CID 111995448
2-[(5-cyano-2-fluorophenyl)methyl]-1-ethyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine;hydroiodide
CID 111997004
1-ethyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine;hydroiodide
CID 111995608
1-ethyl-2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine
CID 111995311
1-[2-(2-hydroxyethyl)pentyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 111507767

Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetylpiperidin-4-yl)methyl]-1-ethyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine?
The IUPAC name of 2-[(1-acetylpiperidin-4-yl)methyl]-1-ethyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine (CID 119157214) is 2-[(1-acetylpiperidin-4-yl)methyl]-1-ethyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine.
What is the SMILES notation for 2-[(1-acetylpiperidin-4-yl)methyl]-1-ethyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine?
The canonical SMILES for 2-[(1-acetylpiperidin-4-yl)methyl]-1-ethyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine is CCN/C(=N\CC1CCN(C(C)=O)CC1)NC1CCCN(c2cnn(C)c2)C1.
What is the InChIKey of 2-[(1-acetylpiperidin-4-yl)methyl]-1-ethyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine?
The InChIKey is ISMBNXRUDWJMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N7O/c1-4-21-20(22-12-17-7-10-26(11-8-17)16(2)28)24-18-6-5-9-27(14-18)19-13-23-25(3)15-19/h13,15,17-18H,4-12,14H2,1-3H3,(H2,21,22,24).
What are the key properties of 2-[(1-acetylpiperidin-4-yl)methyl]-1-ethyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine?
2-[(1-acetylpiperidin-4-yl)methyl]-1-ethyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine has a molecular weight of 389.55 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-acetylpiperidin-4-yl)methyl]-1-ethyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine is sourced from PubChem (CID 119157214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).