N-[2-(4-benzoylpiperazin-1-yl)phenyl]hexanamide

C23H29N3O2 — CID 2955977

IUPACN-[2-(4-benzoylpiperazin-1-yl)phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C23H29N3O2/c1-2-3-5-14-22(27)24-20-12-8-9-13-21(20)25-15-17-26(18-16-25)23(28)19-10-6-4-7-11-19/h4,6-13H,2-3,5,14-18H2,1H3,(H,24,27)
InChIKeyRDRKDQBYVDZVLH-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.17
Rot. Bonds7

About N-[2-(4-benzoylpiperazin-1-yl)phenyl]hexanamide

N-[2-(4-benzoylpiperazin-1-yl)phenyl]hexanamide (PubChem CID 2955977) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[2-(4-benzoylpiperazin-1-yl)phenyl]hexanamide.

Molecular Properties

Compound NameN-[2-(4-benzoylpiperazin-1-yl)phenyl]hexanamide
PubChem CID2955977
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[2-(4-benzoylpiperazin-1-yl)phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C23H29N3O2/c1-2-3-5-14-22(27)24-20-12-8-9-13-21(20)25-15-17-26(18-16-25)23(28)19-10-6-4-7-11-19/h4,6-13H,2-3,5,14-18H2,1H3,(H,24,27)
InChIKeyRDRKDQBYVDZVLH-UHFFFAOYSA-N
XLogP4.17
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]hexanamide
CID 40628480
N-[2-(4-benzoylpiperazin-1-yl)phenyl]-4-butoxybenzamide
CID 17388059
N-[2-(4-benzoylpiperazin-1-yl)phenyl]-3-butoxybenzamide
CID 3410085
N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]pentanamide
CID 4630313
N-[[4-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]hexanamide
CID 22780944
N-[2-(piperidine-1-carbonyl)phenyl]hexanamide
CID 4953779
N-[2-(azepane-1-carbonyl)phenyl]octanamide
CID 4958626
4-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]butanamide;trihydrochloride
CID 119901069
5-hydroxy-N-(2-piperidin-1-ylphenyl)pentanamide
CID 79199095
2-[[2-(4-benzoylpiperazin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 4907955
N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(methylamino)butanamide;trihydrochloride
CID 119901029
1-[2-(hexanoylamino)phenyl]pyrazole-3-carboxylic acid
CID 119206620

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzoylpiperazin-1-yl)phenyl]hexanamide?
The IUPAC name of N-[2-(4-benzoylpiperazin-1-yl)phenyl]hexanamide (CID 2955977) is N-[2-(4-benzoylpiperazin-1-yl)phenyl]hexanamide.
What is the SMILES notation for N-[2-(4-benzoylpiperazin-1-yl)phenyl]hexanamide?
The canonical SMILES for N-[2-(4-benzoylpiperazin-1-yl)phenyl]hexanamide is CCCCCC(=O)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of N-[2-(4-benzoylpiperazin-1-yl)phenyl]hexanamide?
The InChIKey is RDRKDQBYVDZVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-2-3-5-14-22(27)24-20-12-8-9-13-21(20)25-15-17-26(18-16-25)23(28)19-10-6-4-7-11-19/h4,6-13H,2-3,5,14-18H2,1H3,(H,24,27).
What are the key properties of N-[2-(4-benzoylpiperazin-1-yl)phenyl]hexanamide?
N-[2-(4-benzoylpiperazin-1-yl)phenyl]hexanamide has a molecular weight of 379.50 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzoylpiperazin-1-yl)phenyl]hexanamide is sourced from PubChem (CID 2955977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).