(2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-phenylpropanamide

C22H29N3O3 — CID 30622733

IUPAC(2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-phenylpropanamide
SMILESCOc1ccc(CN2CCN([C@H](C)C(=O)Nc3ccccc3)CC2)cc1OC
InChIInChI=1S/C22H29N3O3/c1-17(22(26)23-19-7-5-4-6-8-19)25-13-11-24(12-14-25)16-18-9-10-20(27-2)21(15-18)28-3/h4-10,15,17H,11-14,16H2,1-3H3,(H,23,26)/t17-/m1/s1
InChIKeyQZKRFCUIXGTVAZ-QGZVFWFLSA-N
MW383.49 g/mol
LogP2.85
Rot. Bonds7

About (2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-phenylpropanamide

(2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-phenylpropanamide (PubChem CID 30622733) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is (2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-phenylpropanamide
PubChem CID30622733
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name(2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-phenylpropanamide
SMILESCOc1ccc(CN2CCN([C@H](C)C(=O)Nc3ccccc3)CC2)cc1OC
InChIInChI=1S/C22H29N3O3/c1-17(22(26)23-19-7-5-4-6-8-19)25-13-11-24(12-14-25)16-18-9-10-20(27-2)21(15-18)28-3/h4-10,15,17H,11-14,16H2,1-3H3,(H,23,26)/t17-/m1/s1
InChIKeyQZKRFCUIXGTVAZ-QGZVFWFLSA-N
XLogP2.85
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 8721291
(2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 8721161
(2S)-2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-N-phenylpropanamide
CID 30620929
(2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide
CID 8721271
2-(4-benzylpiperazin-1-yl)-N-(3-methylphenyl)propanamide
CID 42858680
2-(4-benzhydrylpiperazin-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 55430572
(2S)-N-(3-acetylphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 9130125
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
(2R)-N-(2-methoxyphenyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propanamide
CID 9300414
(2S)-2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 8719695
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-phenylpropanamide
CID 46802310

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-phenylpropanamide?
The IUPAC name of (2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-phenylpropanamide (CID 30622733) is (2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-phenylpropanamide.
What is the SMILES notation for (2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-phenylpropanamide?
The canonical SMILES for (2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-phenylpropanamide is COc1ccc(CN2CCN([C@H](C)C(=O)Nc3ccccc3)CC2)cc1OC.
What is the InChIKey of (2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-phenylpropanamide?
The InChIKey is QZKRFCUIXGTVAZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-17(22(26)23-19-7-5-4-6-8-19)25-13-11-24(12-14-25)16-18-9-10-20(27-2)21(15-18)28-3/h4-10,15,17H,11-14,16H2,1-3H3,(H,23,26)/t17-/m1/s1.
What are the key properties of (2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-phenylpropanamide?
(2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-phenylpropanamide has a molecular weight of 383.49 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-phenylpropanamide is sourced from PubChem (CID 30622733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).