N-(3-chloro-4-methoxyphenyl)-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanamide

C23H30ClN3O4 — CID 55432519

IUPACN-(3-chloro-4-methoxyphenyl)-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanamide
SMILESCOc1ccc(OC)c(CN2CCN(C(C)C(=O)Nc3ccc(OC)c(Cl)c3)CC2)c1
InChIInChI=1S/C23H30ClN3O4/c1-16(23(28)25-18-5-7-22(31-4)20(24)14-18)27-11-9-26(10-12-27)15-17-13-19(29-2)6-8-21(17)30-3/h5-8,13-14,16H,9-12,15H2,1-4H3,(H,25,28)
InChIKeyWMNIHVFAHIYLOJ-UHFFFAOYSA-N
MW447.96 g/mol
LogP3.51
Rot. Bonds8

About N-(3-chloro-4-methoxyphenyl)-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanamide

N-(3-chloro-4-methoxyphenyl)-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanamide (PubChem CID 55432519) has the molecular formula C23H30ClN3O4 and a molecular weight of 447.96 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanamide
PubChem CID55432519
Molecular FormulaC23H30ClN3O4
Molecular Weight447.96 g/mol
Exact Mass447.19
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanamide
SMILESCOc1ccc(OC)c(CN2CCN(C(C)C(=O)Nc3ccc(OC)c(Cl)c3)CC2)c1
InChIInChI=1S/C23H30ClN3O4/c1-16(23(28)25-18-5-7-22(31-4)20(24)14-18)27-11-9-26(10-12-27)15-17-13-19(29-2)6-8-21(17)30-3/h5-8,13-14,16H,9-12,15H2,1-4H3,(H,25,28)
InChIKeyWMNIHVFAHIYLOJ-UHFFFAOYSA-N
XLogP3.51
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.96
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(azocan-1-yl)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 9460496
N-(3-chloro-4-methoxyphenyl)-2-(4-methylsulfonylpiperazin-1-yl)propanamide
CID 55436535
(2S)-N-(2-chloro-4-fluorophenyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 9436296
2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 51325438
2-[4-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 60513249
(2S)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 9268335
(2S)-N-(3-chloro-4-methoxyphenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430884
(2S)-N-cyclopentyl-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 8997511
1-[(2S)-butan-2-yl]-4-[(2,5-dimethoxyphenyl)methyl]piperazine
CID 764461
(2S)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 8997506
(2S)-N-(3-acetylphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 9130125
(2R)-N-(3-methylphenyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 9127732

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanamide (CID 55432519) is N-(3-chloro-4-methoxyphenyl)-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanamide is COc1ccc(OC)c(CN2CCN(C(C)C(=O)Nc3ccc(OC)c(Cl)c3)CC2)c1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanamide?
The InChIKey is WMNIHVFAHIYLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O4/c1-16(23(28)25-18-5-7-22(31-4)20(24)14-18)27-11-9-26(10-12-27)15-17-13-19(29-2)6-8-21(17)30-3/h5-8,13-14,16H,9-12,15H2,1-4H3,(H,25,28).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanamide?
N-(3-chloro-4-methoxyphenyl)-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanamide has a molecular weight of 447.96 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 55432519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).