1-(3,5-dimethylbenzoyl)-N-(3-piperazin-1-ylpropyl)piperidine-3-carboxamide

C22H34N4O2 — CID 119391295

IUPAC1-(3,5-dimethylbenzoyl)-N-(3-piperazin-1-ylpropyl)piperidine-3-carboxamide
SMILESCc1cc(C)cc(C(=O)N2CCCC(C(=O)NCCCN3CCNCC3)C2)c1
InChIInChI=1S/C22H34N4O2/c1-17-13-18(2)15-20(14-17)22(28)26-10-3-5-19(16-26)21(27)24-6-4-9-25-11-7-23-8-12-25/h13-15,19,23H,3-12,16H2,1-2H3,(H,24,27)
InChIKeyDTZONRZOBXCYOG-UHFFFAOYSA-N
MW386.54 g/mol
LogP1.57
Rot. Bonds6

About 1-(3,5-dimethylbenzoyl)-N-(3-piperazin-1-ylpropyl)piperidine-3-carboxamide

1-(3,5-dimethylbenzoyl)-N-(3-piperazin-1-ylpropyl)piperidine-3-carboxamide (PubChem CID 119391295) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 1-(3,5-dimethylbenzoyl)-N-(3-piperazin-1-ylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylbenzoyl)-N-(3-piperazin-1-ylpropyl)piperidine-3-carboxamide
PubChem CID119391295
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name1-(3,5-dimethylbenzoyl)-N-(3-piperazin-1-ylpropyl)piperidine-3-carboxamide
SMILESCc1cc(C)cc(C(=O)N2CCCC(C(=O)NCCCN3CCNCC3)C2)c1
InChIInChI=1S/C22H34N4O2/c1-17-13-18(2)15-20(14-17)22(28)26-10-3-5-19(16-26)21(27)24-6-4-9-25-11-7-23-8-12-25/h13-15,19,23H,3-12,16H2,1-2H3,(H,24,27)
InChIKeyDTZONRZOBXCYOG-UHFFFAOYSA-N
XLogP1.57
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dimethylbenzoyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 60559969
(3R)-N-butyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94010550
1-(3,5-dimethylbenzoyl)-N-[3-(methylamino)propyl]piperidine-3-carboxamide
CID 119430235
1-(3,5-dimethylbenzoyl)-N-[2-(methylamino)ethyl]piperidine-3-carboxamide
CID 119500647
1-(3,5-dimethylbenzoyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide
CID 119555717
(3R)-1-(3,5-dimethylbenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 94010780
1-(3,5-dimethylbenzoyl)-N-[2-(tetrazol-2-yl)ethyl]piperidine-3-carboxamide
CID 127478959
1-(3,5-dimethylbenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 46488775
1-(4-fluorobenzoyl)-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 51304812
1-(3,5-dimethylbenzoyl)-N-[2-(methylamino)propyl]piperidine-3-carboxamide
CID 120829554
1-(3,5-dimethylbenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 55789576
1-(3,5-dimethylbenzoyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]piperidine-3-carboxamide
CID 55878443

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylbenzoyl)-N-(3-piperazin-1-ylpropyl)piperidine-3-carboxamide?
The IUPAC name of 1-(3,5-dimethylbenzoyl)-N-(3-piperazin-1-ylpropyl)piperidine-3-carboxamide (CID 119391295) is 1-(3,5-dimethylbenzoyl)-N-(3-piperazin-1-ylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylbenzoyl)-N-(3-piperazin-1-ylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dimethylbenzoyl)-N-(3-piperazin-1-ylpropyl)piperidine-3-carboxamide is Cc1cc(C)cc(C(=O)N2CCCC(C(=O)NCCCN3CCNCC3)C2)c1.
What is the InChIKey of 1-(3,5-dimethylbenzoyl)-N-(3-piperazin-1-ylpropyl)piperidine-3-carboxamide?
The InChIKey is DTZONRZOBXCYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-17-13-18(2)15-20(14-17)22(28)26-10-3-5-19(16-26)21(27)24-6-4-9-25-11-7-23-8-12-25/h13-15,19,23H,3-12,16H2,1-2H3,(H,24,27).
What are the key properties of 1-(3,5-dimethylbenzoyl)-N-(3-piperazin-1-ylpropyl)piperidine-3-carboxamide?
1-(3,5-dimethylbenzoyl)-N-(3-piperazin-1-ylpropyl)piperidine-3-carboxamide has a molecular weight of 386.54 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylbenzoyl)-N-(3-piperazin-1-ylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 119391295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).