N-[4-(4-benzylpiperazin-1-yl)phenyl]-2,4-dimethoxybenzamide

C26H29N3O3 — CID 17336206

IUPACN-[4-(4-benzylpiperazin-1-yl)phenyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)c(OC)c1
InChIInChI=1S/C26H29N3O3/c1-31-23-12-13-24(25(18-23)32-2)26(30)27-21-8-10-22(11-9-21)29-16-14-28(15-17-29)19-20-6-4-3-5-7-20/h3-13,18H,14-17,19H2,1-2H3,(H,27,30)
InChIKeyPLNHKVGXNMNKMD-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.28
Rot. Bonds7

About N-[4-(4-benzylpiperazin-1-yl)phenyl]-2,4-dimethoxybenzamide

N-[4-(4-benzylpiperazin-1-yl)phenyl]-2,4-dimethoxybenzamide (PubChem CID 17336206) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[4-(4-benzylpiperazin-1-yl)phenyl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(4-benzylpiperazin-1-yl)phenyl]-2,4-dimethoxybenzamide
PubChem CID17336206
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC NameN-[4-(4-benzylpiperazin-1-yl)phenyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)c(OC)c1
InChIInChI=1S/C26H29N3O3/c1-31-23-12-13-24(25(18-23)32-2)26(30)27-21-8-10-22(11-9-21)29-16-14-28(15-17-29)19-20-6-4-3-5-7-20/h3-13,18H,14-17,19H2,1-2H3,(H,27,30)
InChIKeyPLNHKVGXNMNKMD-UHFFFAOYSA-N
XLogP4.28
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-benzylpiperazin-1-yl)phenyl]-2,4,5-trimethoxybenzamide
CID 42313354
N-[4-(4-benzylpiperazin-1-yl)phenyl]-5-bromo-2-methoxybenzamide
CID 4500692
2,4-dimethoxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 2996444
N-[4-(4-benzylpiperazin-1-yl)phenyl]-3,5-dimethoxybenzamide
CID 1394950
4-[[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methyl]-N-phenylbenzamide
CID 78898629
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-iodobenzamide
CID 2945842
N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 42315476
N-(3,4-dimethoxyphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 1363715
N-[4-(4-benzylpiperazin-1-yl)phenyl]-3,4-diethoxybenzamide
CID 42313246
N-[4-(4-benzylpiperazin-1-yl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 42315505
N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 3810040
(4-benzylpiperazin-1-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 108989482

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzylpiperazin-1-yl)phenyl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[4-(4-benzylpiperazin-1-yl)phenyl]-2,4-dimethoxybenzamide (CID 17336206) is N-[4-(4-benzylpiperazin-1-yl)phenyl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[4-(4-benzylpiperazin-1-yl)phenyl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[4-(4-benzylpiperazin-1-yl)phenyl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)c(OC)c1.
What is the InChIKey of N-[4-(4-benzylpiperazin-1-yl)phenyl]-2,4-dimethoxybenzamide?
The InChIKey is PLNHKVGXNMNKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-31-23-12-13-24(25(18-23)32-2)26(30)27-21-8-10-22(11-9-21)29-16-14-28(15-17-29)19-20-6-4-3-5-7-20/h3-13,18H,14-17,19H2,1-2H3,(H,27,30).
What are the key properties of N-[4-(4-benzylpiperazin-1-yl)phenyl]-2,4-dimethoxybenzamide?
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2,4-dimethoxybenzamide has a molecular weight of 431.54 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzylpiperazin-1-yl)phenyl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 17336206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).