(2R)-N-benzyl-N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide

C25H35N3O2 — CID 9249415

IUPAC(2R)-N-benzyl-N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccccc1N1CCN([C@H](C)C(=O)N(Cc2ccccc2)C(C)(C)C)CC1
InChIInChI=1S/C25H35N3O2/c1-20(24(29)28(25(2,3)4)19-21-11-7-6-8-12-21)26-15-17-27(18-16-26)22-13-9-10-14-23(22)30-5/h6-14,20H,15-19H2,1-5H3/t20-/m1/s1
InChIKeyKWDUMYPNXXNKDS-HXUWFJFHSA-N
MW409.57 g/mol
LogP4.03
Rot. Bonds6

About (2R)-N-benzyl-N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide

(2R)-N-benzyl-N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide (PubChem CID 9249415) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is (2R)-N-benzyl-N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-benzyl-N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
PubChem CID9249415
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC Name(2R)-N-benzyl-N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccccc1N1CCN([C@H](C)C(=O)N(Cc2ccccc2)C(C)(C)C)CC1
InChIInChI=1S/C25H35N3O2/c1-20(24(29)28(25(2,3)4)19-21-11-7-6-8-12-21)26-15-17-27(18-16-26)22-13-9-10-14-23(22)30-5/h6-14,20H,15-19H2,1-5H3/t20-/m1/s1
InChIKeyKWDUMYPNXXNKDS-HXUWFJFHSA-N
XLogP4.03
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.57
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate
CID 47016293
N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 17445171
(2S)-N-(benzylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 9249441
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylpropanamide
CID 17392933
(2R)-N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-methylpropanamide
CID 8004755
2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutanoic acid
CID 22681684
(2R)-N-[2-(dimethylamino)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 92984615
N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropanamide
CID 46056009
(2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]propanamide
CID 92984622
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 8687371
1-carbazol-9-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 17122032
5-[1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxylic acid
CID 20989921

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-benzyl-N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide (CID 9249415) is (2R)-N-benzyl-N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-benzyl-N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-benzyl-N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide is COc1ccccc1N1CCN([C@H](C)C(=O)N(Cc2ccccc2)C(C)(C)C)CC1.
What is the InChIKey of (2R)-N-benzyl-N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The InChIKey is KWDUMYPNXXNKDS-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H35N3O2/c1-20(24(29)28(25(2,3)4)19-21-11-7-6-8-12-21)26-15-17-27(18-16-26)22-13-9-10-14-23(22)30-5/h6-14,20H,15-19H2,1-5H3/t20-/m1/s1.
What are the key properties of (2R)-N-benzyl-N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
(2R)-N-benzyl-N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide has a molecular weight of 409.57 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 9249415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).