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

C28H31N3O3 — CID 17388059

IUPACN-[2-(4-benzoylpiperazin-1-yl)phenyl]-4-butoxybenzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C28H31N3O3/c1-2-3-21-34-24-15-13-22(14-16-24)27(32)29-25-11-7-8-12-26(25)30-17-19-31(20-18-30)28(33)23-9-5-4-6-10-23/h4-16H,2-3,17-21H2,1H3,(H,29,32)
InChIKeyRQKCULRLNKZSLL-UHFFFAOYSA-N
MW457.57 g/mol
LogP5.08
Rot. Bonds8

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

N-[2-(4-benzoylpiperazin-1-yl)phenyl]-4-butoxybenzamide (PubChem CID 17388059) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is N-[2-(4-benzoylpiperazin-1-yl)phenyl]-4-butoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-benzoylpiperazin-1-yl)phenyl]-4-butoxybenzamide
PubChem CID17388059
Molecular FormulaC28H31N3O3
Molecular Weight457.57 g/mol
Exact Mass457.24
IUPAC NameN-[2-(4-benzoylpiperazin-1-yl)phenyl]-4-butoxybenzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C28H31N3O3/c1-2-3-21-34-24-15-13-22(14-16-24)27(32)29-25-11-7-8-12-26(25)30-17-19-31(20-18-30)28(33)23-9-5-4-6-10-23/h4-16H,2-3,17-21H2,1H3,(H,29,32)
InChIKeyRQKCULRLNKZSLL-UHFFFAOYSA-N
XLogP5.08
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.57
LogP ≤ 55.08
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

N-[2-(4-benzoylpiperazin-1-yl)phenyl]-3-butoxybenzamide
CID 3410085
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-propoxybenzamide
CID 2949164
4-butoxy-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide
CID 22775492
N-[2-(4-benzoylpiperazin-1-yl)phenyl]hexanamide
CID 2955977
4-butoxy-N-[3-chloro-4-[4-(4-propoxybenzoyl)piperazin-1-yl]phenyl]benzamide
CID 21169593
4-butoxy-N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 17066222
4-butoxy-N-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide
CID 2958249
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-butoxybenzamide
CID 46653980
N-[3-chloro-4-[4-(4-propoxybenzoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide
CID 21169787
N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-4-pentoxybenzamide
CID 4935215
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-ethylbenzamide
CID 2199021
4-pentoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 4935150

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzoylpiperazin-1-yl)phenyl]-4-butoxybenzamide?
The IUPAC name of N-[2-(4-benzoylpiperazin-1-yl)phenyl]-4-butoxybenzamide (CID 17388059) is N-[2-(4-benzoylpiperazin-1-yl)phenyl]-4-butoxybenzamide.
What is the SMILES notation for N-[2-(4-benzoylpiperazin-1-yl)phenyl]-4-butoxybenzamide?
The canonical SMILES for N-[2-(4-benzoylpiperazin-1-yl)phenyl]-4-butoxybenzamide is CCCCOc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of N-[2-(4-benzoylpiperazin-1-yl)phenyl]-4-butoxybenzamide?
The InChIKey is RQKCULRLNKZSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3/c1-2-3-21-34-24-15-13-22(14-16-24)27(32)29-25-11-7-8-12-26(25)30-17-19-31(20-18-30)28(33)23-9-5-4-6-10-23/h4-16H,2-3,17-21H2,1H3,(H,29,32).
What are the key properties of N-[2-(4-benzoylpiperazin-1-yl)phenyl]-4-butoxybenzamide?
N-[2-(4-benzoylpiperazin-1-yl)phenyl]-4-butoxybenzamide has a molecular weight of 457.57 g/mol, XLogP of 5.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzoylpiperazin-1-yl)phenyl]-4-butoxybenzamide is sourced from PubChem (CID 17388059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).