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

C23H31N3O4 — CID 8721291

IUPAC(2S)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)[C@H](C)N1CCN(Cc2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C23H31N3O4/c1-17(23(27)24-19-7-5-6-8-20(19)28-2)26-13-11-25(12-14-26)16-18-9-10-21(29-3)22(15-18)30-4/h5-10,15,17H,11-14,16H2,1-4H3,(H,24,27)/t17-/m0/s1
InChIKeyMQZWISCONPPZCQ-KRWDZBQOSA-N
MW413.52 g/mol
LogP2.86
Rot. Bonds8

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

(2S)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide (PubChem CID 8721291) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is (2S)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
PubChem CID8721291
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC Name(2S)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)[C@H](C)N1CCN(Cc2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C23H31N3O4/c1-17(23(27)24-19-7-5-6-8-20(19)28-2)26-13-11-25(12-14-26)16-18-9-10-21(29-3)22(15-18)30-4/h5-10,15,17H,11-14,16H2,1-4H3,(H,24,27)/t17-/m0/s1
InChIKeyMQZWISCONPPZCQ-KRWDZBQOSA-N
XLogP2.86
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 8721161
(2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-phenylpropanamide
CID 30622733
(2R)-N-(2-methoxyphenyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propanamide
CID 9300414
(2S)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 8997506
(2R)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 30642247
(2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide
CID 8721271
(2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-ethoxyphenyl)propanamide
CID 9444487
1-[(3,4-dimethoxyphenyl)methyl]-4-propan-2-ylpiperazine
CID 764481
1-[(3,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine;oxalic acid
CID 17367068
2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 46820727
(2R)-N-(2-methoxy-5-methylphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]propanamide
CID 30724673
(2R)-N-(5-chloro-2-methoxyphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide
CID 30721542

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide?
The IUPAC name of (2S)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide (CID 8721291) is (2S)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)[C@H](C)N1CCN(Cc2ccc(OC)c(OC)c2)CC1.
What is the InChIKey of (2S)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide?
The InChIKey is MQZWISCONPPZCQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-17(23(27)24-19-7-5-6-8-20(19)28-2)26-13-11-25(12-14-26)16-18-9-10-21(29-3)22(15-18)30-4/h5-10,15,17H,11-14,16H2,1-4H3,(H,24,27)/t17-/m0/s1.
What are the key properties of (2S)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide?
(2S)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide has a molecular weight of 413.52 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 8721291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).