4-(4-acetylpiperazine-1-carbonyl)-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide

C19H34N4O3 — CID 109147237

IUPAC4-(4-acetylpiperazine-1-carbonyl)-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)C2CCC(C(=O)NCCCN(C)C)CC2)CC1
InChIInChI=1S/C19H34N4O3/c1-15(24)22-11-13-23(14-12-22)19(26)17-7-5-16(6-8-17)18(25)20-9-4-10-21(2)3/h16-17H,4-14H2,1-3H3,(H,20,25)
InChIKeyPYMJJGDOHQCCMD-UHFFFAOYSA-N
MW366.51 g/mol
LogP0.55
Rot. Bonds6

About 4-(4-acetylpiperazine-1-carbonyl)-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide

4-(4-acetylpiperazine-1-carbonyl)-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide (PubChem CID 109147237) has the molecular formula C19H34N4O3 and a molecular weight of 366.51 g/mol. Its IUPAC name is 4-(4-acetylpiperazine-1-carbonyl)-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(4-acetylpiperazine-1-carbonyl)-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide
PubChem CID109147237
Molecular FormulaC19H34N4O3
Molecular Weight366.51 g/mol
Exact Mass366.26
IUPAC Name4-(4-acetylpiperazine-1-carbonyl)-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)C2CCC(C(=O)NCCCN(C)C)CC2)CC1
InChIInChI=1S/C19H34N4O3/c1-15(24)22-11-13-23(14-12-22)19(26)17-7-5-16(6-8-17)18(25)20-9-4-10-21(2)3/h16-17H,4-14H2,1-3H3,(H,20,25)
InChIKeyPYMJJGDOHQCCMD-UHFFFAOYSA-N
XLogP0.55
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-[2-(dimethylamino)ethyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
CID 109147025
1-acetyl-N-[3-(dimethylamino)propyl]piperidine-3-carboxamide
CID 110686073
1-acetyl-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 43392702
4-(4-acetylpiperazine-1-carbonyl)-N-prop-2-enylcyclohexane-1-carboxamide
CID 109144861
N-[3-(dimethylamino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 113003552
N-[3-[benzyl(methyl)amino]propyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 55529899
4-(4-methylpiperazine-1-carbonyl)-N-pentylcyclohexane-1-carboxamide
CID 109147401
1-[4-[4-(4-acetylpiperazine-1-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 2375184
1-(cyclobutanecarbonyl)-N-pentylpiperidine-4-carboxamide
CID 113005621
1-N-[3-(dimethylamino)propyl]-4-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109147286
1-(cyclobutanecarbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 113003322
1-tert-butyl-N-[3-(dimethylamino)propyl]pyrrolidine-3-carboxamide
CID 146256240

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazine-1-carbonyl)-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(4-acetylpiperazine-1-carbonyl)-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide (CID 109147237) is 4-(4-acetylpiperazine-1-carbonyl)-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(4-acetylpiperazine-1-carbonyl)-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(4-acetylpiperazine-1-carbonyl)-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide is CC(=O)N1CCN(C(=O)C2CCC(C(=O)NCCCN(C)C)CC2)CC1.
What is the InChIKey of 4-(4-acetylpiperazine-1-carbonyl)-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide?
The InChIKey is PYMJJGDOHQCCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O3/c1-15(24)22-11-13-23(14-12-22)19(26)17-7-5-16(6-8-17)18(25)20-9-4-10-21(2)3/h16-17H,4-14H2,1-3H3,(H,20,25).
What are the key properties of 4-(4-acetylpiperazine-1-carbonyl)-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide?
4-(4-acetylpiperazine-1-carbonyl)-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazine-1-carbonyl)-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 109147237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).