4-acetyl-N-ethyl-N'-[(1-propylpiperidin-4-yl)methyl]piperazine-1-carboximidamide

C18H35N5O — CID 110964091

IUPAC4-acetyl-N-ethyl-N'-[(1-propylpiperidin-4-yl)methyl]piperazine-1-carboximidamide
SMILESCCCN1CCC(C/N=C(\NCC)N2CCN(C(C)=O)CC2)CC1
InChIInChI=1S/C18H35N5O/c1-4-8-21-9-6-17(7-10-21)15-20-18(19-5-2)23-13-11-22(12-14-23)16(3)24/h17H,4-15H2,1-3H3,(H,19,20)
InChIKeyMCYMOQCPYYQBEK-UHFFFAOYSA-N
MW337.51 g/mol
LogP1.24
Rot. Bonds5

About 4-acetyl-N-ethyl-N'-[(1-propylpiperidin-4-yl)methyl]piperazine-1-carboximidamide

4-acetyl-N-ethyl-N'-[(1-propylpiperidin-4-yl)methyl]piperazine-1-carboximidamide (PubChem CID 110964091) has the molecular formula C18H35N5O and a molecular weight of 337.51 g/mol. Its IUPAC name is 4-acetyl-N-ethyl-N'-[(1-propylpiperidin-4-yl)methyl]piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-acetyl-N-ethyl-N'-[(1-propylpiperidin-4-yl)methyl]piperazine-1-carboximidamide
PubChem CID110964091
Molecular FormulaC18H35N5O
Molecular Weight337.51 g/mol
Exact Mass337.28
IUPAC Name4-acetyl-N-ethyl-N'-[(1-propylpiperidin-4-yl)methyl]piperazine-1-carboximidamide
SMILESCCCN1CCC(C/N=C(\NCC)N2CCN(C(C)=O)CC2)CC1
InChIInChI=1S/C18H35N5O/c1-4-8-21-9-6-17(7-10-21)15-20-18(19-5-2)23-13-11-22(12-14-23)16(3)24/h17H,4-15H2,1-3H3,(H,19,20)
InChIKeyMCYMOQCPYYQBEK-UHFFFAOYSA-N
XLogP1.24
TPSA51.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-acetyl-N-ethyl-N'-[(1-propylpiperidin-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 110964090
4-acetyl-N-ethyl-N'-[(1-propylpyrrolidin-3-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 110962488
ethyl 4-[N-ethyl-N'-[(1-propylpyrrolidin-3-yl)methyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111164014
1,3-diethyl-2-[(1-propylpiperidin-4-yl)methyl]guanidine
CID 110917818
N-ethyl-N'-[(1-propylpiperidin-4-yl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111732430
4-acetyl-N-ethyl-N'-[(3-methylcyclohexyl)methyl]piperazine-1-carboximidamide
CID 110962485
N-ethyl-4-(oxolane-2-carbonyl)-N'-[(1-propylpyrrolidin-3-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111300710
4-acetyl-N-ethyl-N'-[(1-methylpyrrolidin-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 110964070
N'-[(1-acetylpiperidin-4-yl)methyl]-4-cyclopropyl-N-ethyl-3-oxopiperazine-1-carboximidamide
CID 119157402
N'-[(1-acetylpiperidin-4-yl)methyl]-4-(2-bicyclo[2.2.1]heptanyl)-N-ethylpiperazine-1-carboximidamide;hydroiodide
CID 119157411
4-acetyl-N-ethyl-N'-[(2-methylcyclohexyl)methyl]piperazine-1-carboximidamide
CID 110962483
2-[2-(4-acetylpiperazin-1-yl)ethyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111017357

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-ethyl-N'-[(1-propylpiperidin-4-yl)methyl]piperazine-1-carboximidamide?
The IUPAC name of 4-acetyl-N-ethyl-N'-[(1-propylpiperidin-4-yl)methyl]piperazine-1-carboximidamide (CID 110964091) is 4-acetyl-N-ethyl-N'-[(1-propylpiperidin-4-yl)methyl]piperazine-1-carboximidamide.
What is the SMILES notation for 4-acetyl-N-ethyl-N'-[(1-propylpiperidin-4-yl)methyl]piperazine-1-carboximidamide?
The canonical SMILES for 4-acetyl-N-ethyl-N'-[(1-propylpiperidin-4-yl)methyl]piperazine-1-carboximidamide is CCCN1CCC(C/N=C(\NCC)N2CCN(C(C)=O)CC2)CC1.
What is the InChIKey of 4-acetyl-N-ethyl-N'-[(1-propylpiperidin-4-yl)methyl]piperazine-1-carboximidamide?
The InChIKey is MCYMOQCPYYQBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N5O/c1-4-8-21-9-6-17(7-10-21)15-20-18(19-5-2)23-13-11-22(12-14-23)16(3)24/h17H,4-15H2,1-3H3,(H,19,20).
What are the key properties of 4-acetyl-N-ethyl-N'-[(1-propylpiperidin-4-yl)methyl]piperazine-1-carboximidamide?
4-acetyl-N-ethyl-N'-[(1-propylpiperidin-4-yl)methyl]piperazine-1-carboximidamide has a molecular weight of 337.51 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-ethyl-N'-[(1-propylpiperidin-4-yl)methyl]piperazine-1-carboximidamide is sourced from PubChem (CID 110964091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).