N-[4-(4-benzylpiperazin-1-yl)phenyl]-3,5-dimethoxybenzamide

C26H29N3O3 — CID 1394950

IUPACN-[4-(4-benzylpiperazin-1-yl)phenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)c1
InChIInChI=1S/C26H29N3O3/c1-31-24-16-21(17-25(18-24)32-2)26(30)27-22-8-10-23(11-9-22)29-14-12-28(13-15-29)19-20-6-4-3-5-7-20/h3-11,16-18H,12-15,19H2,1-2H3,(H,27,30)
InChIKeySHVQJQXPPHQGGA-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.28
Rot. Bonds7

About N-[4-(4-benzylpiperazin-1-yl)phenyl]-3,5-dimethoxybenzamide

N-[4-(4-benzylpiperazin-1-yl)phenyl]-3,5-dimethoxybenzamide (PubChem CID 1394950) 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]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(4-benzylpiperazin-1-yl)phenyl]-3,5-dimethoxybenzamide
PubChem CID1394950
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC NameN-[4-(4-benzylpiperazin-1-yl)phenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)c1
InChIInChI=1S/C26H29N3O3/c1-31-24-16-21(17-25(18-24)32-2)26(30)27-22-8-10-23(11-9-22)29-14-12-28(13-15-29)19-20-6-4-3-5-7-20/h3-11,16-18H,12-15,19H2,1-2H3,(H,27,30)
InChIKeySHVQJQXPPHQGGA-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-dimethoxybenzamide
CID 17336206
4-[[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methyl]-N-phenylbenzamide
CID 78898629
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2,4,5-trimethoxybenzamide
CID 42313354
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]-3-methoxy-4-prop-2-enoxybenzamide
CID 42315476
N-[4-(4-benzylpiperazin-1-yl)phenyl]-5-bromo-2-methoxybenzamide
CID 4500692
N-(3,4-dimethoxyphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 1363715
N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 3810040
4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983942
4-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 4851320
4-[(4-benzylpiperazin-1-yl)methyl]-N-(3-methoxyphenyl)benzamide
CID 1362665

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzylpiperazin-1-yl)phenyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[4-(4-benzylpiperazin-1-yl)phenyl]-3,5-dimethoxybenzamide (CID 1394950) is N-[4-(4-benzylpiperazin-1-yl)phenyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[4-(4-benzylpiperazin-1-yl)phenyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[4-(4-benzylpiperazin-1-yl)phenyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)c1.
What is the InChIKey of N-[4-(4-benzylpiperazin-1-yl)phenyl]-3,5-dimethoxybenzamide?
The InChIKey is SHVQJQXPPHQGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-31-24-16-21(17-25(18-24)32-2)26(30)27-22-8-10-23(11-9-22)29-14-12-28(13-15-29)19-20-6-4-3-5-7-20/h3-11,16-18H,12-15,19H2,1-2H3,(H,27,30).
What are the key properties of N-[4-(4-benzylpiperazin-1-yl)phenyl]-3,5-dimethoxybenzamide?
N-[4-(4-benzylpiperazin-1-yl)phenyl]-3,5-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]-3,5-dimethoxybenzamide is sourced from PubChem (CID 1394950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).