(2R)-N-(3-methylphenyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide

C24H33N3O4 — CID 9127732

IUPAC(2R)-N-(3-methylphenyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide
SMILESCOc1ccc(CN2CCN([C@H](C)C(=O)Nc3cccc(C)c3)CC2)c(OC)c1OC
InChIInChI=1S/C24H33N3O4/c1-17-7-6-8-20(15-17)25-24(28)18(2)27-13-11-26(12-14-27)16-19-9-10-21(29-3)23(31-5)22(19)30-4/h6-10,15,18H,11-14,16H2,1-5H3,(H,25,28)/t18-/m1/s1
InChIKeyRWMYSFLKGONNGO-GOSISDBHSA-N
MW427.55 g/mol
LogP3.17
Rot. Bonds8

About (2R)-N-(3-methylphenyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide

(2R)-N-(3-methylphenyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide (PubChem CID 9127732) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is (2R)-N-(3-methylphenyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(3-methylphenyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide
PubChem CID9127732
Molecular FormulaC24H33N3O4
Molecular Weight427.55 g/mol
Exact Mass427.25
IUPAC Name(2R)-N-(3-methylphenyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide
SMILESCOc1ccc(CN2CCN([C@H](C)C(=O)Nc3cccc(C)c3)CC2)c(OC)c1OC
InChIInChI=1S/C24H33N3O4/c1-17-7-6-8-20(15-17)25-24(28)18(2)27-13-11-26(12-14-27)16-19-9-10-21(29-3)23(31-5)22(19)30-4/h6-10,15,18H,11-14,16H2,1-5H3,(H,25,28)/t18-/m1/s1
InChIKeyRWMYSFLKGONNGO-GOSISDBHSA-N
XLogP3.17
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 8719695
methyl N-[(2R)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanoyl]carbamate
CID 9127899
2-(4-benzylpiperazin-1-yl)-N-(3-methylphenyl)propanamide
CID 42858680
(2S)-N-(methylcarbamoyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 9127707
(2S)-N-benzyl-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 9127696
(2S)-2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-N-phenylpropanamide
CID 30620929
(2S)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 8997506
2-(4-benzyl-1,4-diazepan-1-yl)-N-(3-methylphenyl)propanamide
CID 55506004
(2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-phenylpropanamide
CID 30622733
(2S)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 9268335
N-(3-chlorophenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 17468033
N-(3,4-dimethoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 51281768

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-methylphenyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-(3-methylphenyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide (CID 9127732) is (2R)-N-(3-methylphenyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(3-methylphenyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(3-methylphenyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide is COc1ccc(CN2CCN([C@H](C)C(=O)Nc3cccc(C)c3)CC2)c(OC)c1OC.
What is the InChIKey of (2R)-N-(3-methylphenyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide?
The InChIKey is RWMYSFLKGONNGO-GOSISDBHSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-17-7-6-8-20(15-17)25-24(28)18(2)27-13-11-26(12-14-27)16-19-9-10-21(29-3)23(31-5)22(19)30-4/h6-10,15,18H,11-14,16H2,1-5H3,(H,25,28)/t18-/m1/s1.
What are the key properties of (2R)-N-(3-methylphenyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide?
(2R)-N-(3-methylphenyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide has a molecular weight of 427.55 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-methylphenyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 9127732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).