4-methoxy-N-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide

C22H29N3O3 — CID 139726509

IUPAC4-methoxy-N-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCN2CCN(Cc3cccc(OC)c3)CC2)cc1
InChIInChI=1S/C22H29N3O3/c1-27-20-8-6-19(7-9-20)22(26)23-10-11-24-12-14-25(15-13-24)17-18-4-3-5-21(16-18)28-2/h3-9,16H,10-15,17H2,1-2H3,(H,23,26)
InChIKeyLQOLYUAIIPGGEU-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.25
Rot. Bonds8

About 4-methoxy-N-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide

4-methoxy-N-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide (PubChem CID 139726509) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 4-methoxy-N-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide
PubChem CID139726509
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name4-methoxy-N-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCN2CCN(Cc3cccc(OC)c3)CC2)cc1
InChIInChI=1S/C22H29N3O3/c1-27-20-8-6-19(7-9-20)22(26)23-10-11-24-12-14-25(15-13-24)17-18-4-3-5-21(16-18)28-2/h3-9,16H,10-15,17H2,1-2H3,(H,23,26)
InChIKeyLQOLYUAIIPGGEU-UHFFFAOYSA-N
XLogP2.25
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methoxybenzamide
CID 39985567
4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885248
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
3-methoxy-N-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide
CID 10572037
N-[2-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-4-methylbenzamide
CID 3598265
4-methoxy-N-[2-(4-propanoylpiperazin-1-yl)ethyl]benzamide
CID 29207362
N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-methoxynaphthalene-2-carboxamide
CID 122188780
N-[2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]ethyl]-4-methoxybenzamide
CID 41136212
4-fluoro-N-[2-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]benzamide
CID 4301668
1-[(3-methoxyphenyl)methyl]-N-(2-piperidin-1-ylethyl)benzotriazole-5-carboxamide
CID 53111369
N-[2-[7-[[3-(2-hydroxyethoxy)phenyl]methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]-4-methoxybenzamide
CID 26348779
N-[2-(3-methoxyphenoxy)ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 46413657

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide (CID 139726509) is 4-methoxy-N-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide is COc1ccc(C(=O)NCCN2CCN(Cc3cccc(OC)c3)CC2)cc1.
What is the InChIKey of 4-methoxy-N-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide?
The InChIKey is LQOLYUAIIPGGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-27-20-8-6-19(7-9-20)22(26)23-10-11-24-12-14-25(15-13-24)17-18-4-3-5-21(16-18)28-2/h3-9,16H,10-15,17H2,1-2H3,(H,23,26).
What are the key properties of 4-methoxy-N-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide?
4-methoxy-N-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide has a molecular weight of 383.49 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 139726509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).