1-(3,5-dimethylbenzoyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide

C24H38N4O2 — CID 60559969

IUPAC1-(3,5-dimethylbenzoyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide
SMILESCCN1CCN(CCCNC(=O)C2CCCN(C(=O)c3cc(C)cc(C)c3)C2)CC1
InChIInChI=1S/C24H38N4O2/c1-4-26-11-13-27(14-12-26)9-6-8-25-23(29)21-7-5-10-28(18-21)24(30)22-16-19(2)15-20(3)17-22/h15-17,21H,4-14,18H2,1-3H3,(H,25,29)
InChIKeyDVRLAODOKNTVPZ-UHFFFAOYSA-N
MW414.59 g/mol
LogP2.30
Rot. Bonds7

About 1-(3,5-dimethylbenzoyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide

1-(3,5-dimethylbenzoyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide (PubChem CID 60559969) has the molecular formula C24H38N4O2 and a molecular weight of 414.59 g/mol. Its IUPAC name is 1-(3,5-dimethylbenzoyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylbenzoyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide
PubChem CID60559969
Molecular FormulaC24H38N4O2
Molecular Weight414.59 g/mol
Exact Mass414.30
IUPAC Name1-(3,5-dimethylbenzoyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide
SMILESCCN1CCN(CCCNC(=O)C2CCCN(C(=O)c3cc(C)cc(C)c3)C2)CC1
InChIInChI=1S/C24H38N4O2/c1-4-26-11-13-27(14-12-26)9-6-8-25-23(29)21-7-5-10-28(18-21)24(30)22-16-19(2)15-20(3)17-22/h15-17,21H,4-14,18H2,1-3H3,(H,25,29)
InChIKeyDVRLAODOKNTVPZ-UHFFFAOYSA-N
XLogP2.30
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 52.30
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

1-(3,5-dimethylbenzoyl)-N-(3-piperazin-1-ylpropyl)piperidine-3-carboxamide
CID 119391295
(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
(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-(2-piperidin-3-ylethyl)piperidine-3-carboxamide
CID 119555717
1-(3,5-dimethylbenzoyl)-N-[2-(methylamino)propyl]piperidine-3-carboxamide
CID 120829554
1-(3,5-dimethylbenzoyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]piperidine-3-carboxamide
CID 55878443
1-(3,5-dimethylbenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 55789576
1-(3,5-dimethylbenzoyl)-N-(3-methylbutan-2-yl)piperidine-3-carboxamide
CID 46488810
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 53010395

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylbenzoyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide?
The IUPAC name of 1-(3,5-dimethylbenzoyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide (CID 60559969) is 1-(3,5-dimethylbenzoyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylbenzoyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dimethylbenzoyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide is CCN1CCN(CCCNC(=O)C2CCCN(C(=O)c3cc(C)cc(C)c3)C2)CC1.
What is the InChIKey of 1-(3,5-dimethylbenzoyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide?
The InChIKey is DVRLAODOKNTVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O2/c1-4-26-11-13-27(14-12-26)9-6-8-25-23(29)21-7-5-10-28(18-21)24(30)22-16-19(2)15-20(3)17-22/h15-17,21H,4-14,18H2,1-3H3,(H,25,29).
What are the key properties of 1-(3,5-dimethylbenzoyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide?
1-(3,5-dimethylbenzoyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide has a molecular weight of 414.59 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylbenzoyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 60559969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).