N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide

C31H29N3O3 — CID 17335407

IUPACN-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide
SMILESCOc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(-c5ccccc5)cc4)cc3)CC2)cc1
InChIInChI=1S/C31H29N3O3/c1-37-29-17-11-26(12-18-29)31(36)34-21-19-33(20-22-34)28-15-13-27(14-16-28)32-30(35)25-9-7-24(8-10-25)23-5-3-2-4-6-23/h2-18H,19-22H2,1H3,(H,32,35)
InChIKeyZDZKVPWCGHRYJD-UHFFFAOYSA-N
MW491.59 g/mol
LogP5.58
Rot. Bonds6

About N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide

N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide (PubChem CID 17335407) has the molecular formula C31H29N3O3 and a molecular weight of 491.59 g/mol. Its IUPAC name is N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide
PubChem CID17335407
Molecular FormulaC31H29N3O3
Molecular Weight491.59 g/mol
Exact Mass491.22
IUPAC NameN-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide
SMILESCOc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(-c5ccccc5)cc4)cc3)CC2)cc1
InChIInChI=1S/C31H29N3O3/c1-37-29-17-11-26(12-18-29)31(36)34-21-19-33(20-22-34)28-15-13-27(14-16-28)32-30(35)25-9-7-24(8-10-25)23-5-3-2-4-6-23/h2-18H,19-22H2,1H3,(H,32,35)
InChIKeyZDZKVPWCGHRYJD-UHFFFAOYSA-N
XLogP5.58
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.59
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]phenyl]benzamide
CID 55917529
4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983942
4-chloro-N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]benzamide
CID 17335383
4-methoxy-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 1056093
3,5-dimethoxy-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 2947044
N-phenyl-4-(4-phenylpiperazine-1-carbonyl)benzamide
CID 109048202
N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-4-phenylmethoxybenzamide
CID 2960552
1-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)urea
CID 42663789
4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide
CID 55376450
N-[4-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]phenyl]-4-iodobenzamide
CID 17127949
5-(4-bromophenyl)-N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 17335416
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide
CID 109043150

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide?
The IUPAC name of N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide (CID 17335407) is N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide.
What is the SMILES notation for N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide?
The canonical SMILES for N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide is COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(-c5ccccc5)cc4)cc3)CC2)cc1.
What is the InChIKey of N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide?
The InChIKey is ZDZKVPWCGHRYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N3O3/c1-37-29-17-11-26(12-18-29)31(36)34-21-19-33(20-22-34)28-15-13-27(14-16-28)32-30(35)25-9-7-24(8-10-25)23-5-3-2-4-6-23/h2-18H,19-22H2,1H3,(H,32,35).
What are the key properties of N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide?
N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide has a molecular weight of 491.59 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide is sourced from PubChem (CID 17335407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).