N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-propoxybenzamide

C27H28ClN3O3 — CID 2949164

IUPACN-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C27H28ClN3O3/c1-2-19-34-23-13-9-20(10-14-23)26(32)29-24-5-3-4-6-25(24)30-15-17-31(18-16-30)27(33)21-7-11-22(28)12-8-21/h3-14H,2,15-19H2,1H3,(H,29,32)
InChIKeyYZSDZEJECKOLEV-UHFFFAOYSA-N
MW477.99 g/mol
LogP5.34
Rot. Bonds7

About N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-propoxybenzamide

N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-propoxybenzamide (PubChem CID 2949164) has the molecular formula C27H28ClN3O3 and a molecular weight of 477.99 g/mol. Its IUPAC name is N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-propoxybenzamide
PubChem CID2949164
Molecular FormulaC27H28ClN3O3
Molecular Weight477.99 g/mol
Exact Mass477.18
IUPAC NameN-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C27H28ClN3O3/c1-2-19-34-23-13-9-20(10-14-23)26(32)29-24-5-3-4-6-25(24)30-15-17-31(18-16-30)27(33)21-7-11-22(28)12-8-21/h3-14H,2,15-19H2,1H3,(H,29,32)
InChIKeyYZSDZEJECKOLEV-UHFFFAOYSA-N
XLogP5.34
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.99
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-benzoylpiperazin-1-yl)phenyl]-4-butoxybenzamide
CID 17388059
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-ethylbenzamide
CID 2199021
4-butoxy-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide
CID 22775492
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-methylbenzamide
CID 1258048
N-[3-chloro-4-[4-(4-propoxybenzoyl)piperazin-1-yl]phenyl]-4-propoxybenzamide
CID 21168713
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-(4-ethylphenoxy)acetamide
CID 17117908
N-[3-chloro-4-[4-(4-propoxybenzoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide
CID 21169787
N-[2-(4-benzoylpiperazin-1-yl)phenyl]-3-butoxybenzamide
CID 3410085
4-butoxy-N-[3-chloro-4-[4-(4-propoxybenzoyl)piperazin-1-yl]phenyl]benzamide
CID 21169593
N-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methoxybenzamide
CID 3758937
2-chloro-N-[3-chloro-4-[4-(4-propoxybenzoyl)piperazin-1-yl]phenyl]benzamide
CID 23101203
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2,4-dimethoxybenzamide
CID 17335991

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-propoxybenzamide?
The IUPAC name of N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-propoxybenzamide (CID 2949164) is N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-propoxybenzamide.
What is the SMILES notation for N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-propoxybenzamide?
The canonical SMILES for N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-propoxybenzamide?
The InChIKey is YZSDZEJECKOLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN3O3/c1-2-19-34-23-13-9-20(10-14-23)26(32)29-24-5-3-4-6-25(24)30-15-17-31(18-16-30)27(33)21-7-11-22(28)12-8-21/h3-14H,2,15-19H2,1H3,(H,29,32).
What are the key properties of N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-propoxybenzamide?
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-propoxybenzamide has a molecular weight of 477.99 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-propoxybenzamide is sourced from PubChem (CID 2949164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).