(2R)-N-tert-butyl-2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]propanamide

C21H33N3O3 — CID 52507184

IUPAC(2R)-N-tert-butyl-2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]propanamide
SMILESCOc1ccc(CCC(=O)N2CCN([C@H](C)C(=O)NC(C)(C)C)CC2)cc1
InChIInChI=1S/C21H33N3O3/c1-16(20(26)22-21(2,3)4)23-12-14-24(15-13-23)19(25)11-8-17-6-9-18(27-5)10-7-17/h6-7,9-10,16H,8,11-15H2,1-5H3,(H,22,26)/t16-/m1/s1
InChIKeyHVNVBOFQLASFBA-MRXNPFEDSA-N
MW375.51 g/mol
LogP2.08
Rot. Bonds6

About (2R)-N-tert-butyl-2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]propanamide

(2R)-N-tert-butyl-2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]propanamide (PubChem CID 52507184) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is (2R)-N-tert-butyl-2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-tert-butyl-2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]propanamide
PubChem CID52507184
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC Name(2R)-N-tert-butyl-2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]propanamide
SMILESCOc1ccc(CCC(=O)N2CCN([C@H](C)C(=O)NC(C)(C)C)CC2)cc1
InChIInChI=1S/C21H33N3O3/c1-16(20(26)22-21(2,3)4)23-12-14-24(15-13-23)19(25)11-8-17-6-9-18(27-5)10-7-17/h6-7,9-10,16H,8,11-15H2,1-5H3,(H,22,26)/t16-/m1/s1
InChIKeyHVNVBOFQLASFBA-MRXNPFEDSA-N
XLogP2.08
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-tert-butyl-2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-tert-butyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 9461848
1-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]butan-1-one
CID 110365914
1-[4-(3-aminopropanoyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 119306765
1-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 110709767
3-(4-methoxyphenyl)-1-[4-[3-(2-methylpropoxy)propanoyl]piperazin-1-yl]propan-1-one
CID 47080708
3-(4-methoxyphenyl)-1-[4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one
CID 51126431
N-cyclopropyl-2-[4-[3-(4-ethylphenyl)propanoyl]piperazin-1-yl]propanamide
CID 51299654
2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]acetic acid
CID 119134967
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110346884
N-[2-(4-methoxyphenyl)ethyl]-2-piperazin-1-ylpropanamide
CID 43130632
2-[4-(2-hydroxypropyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 56802864
N-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 110821944

Frequently Asked Questions

What is the IUPAC name of (2R)-N-tert-butyl-2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-tert-butyl-2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]propanamide (CID 52507184) is (2R)-N-tert-butyl-2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-tert-butyl-2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-tert-butyl-2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]propanamide is COc1ccc(CCC(=O)N2CCN([C@H](C)C(=O)NC(C)(C)C)CC2)cc1.
What is the InChIKey of (2R)-N-tert-butyl-2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]propanamide?
The InChIKey is HVNVBOFQLASFBA-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-16(20(26)22-21(2,3)4)23-12-14-24(15-13-23)19(25)11-8-17-6-9-18(27-5)10-7-17/h6-7,9-10,16H,8,11-15H2,1-5H3,(H,22,26)/t16-/m1/s1.
What are the key properties of (2R)-N-tert-butyl-2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]propanamide?
(2R)-N-tert-butyl-2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]propanamide has a molecular weight of 375.51 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-tert-butyl-2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 52507184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).