(2S)-N-ethyl-2-[[2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetyl]amino]propanamide

C21H34N4O2 — CID 8616835

IUPAC(2S)-N-ethyl-2-[[2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetyl]amino]propanamide
SMILESCCNC(=O)[C@H](C)NC(=O)CN1CCN(Cc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C21H34N4O2/c1-5-22-21(27)17(4)23-20(26)15-25-12-10-24(11-13-25)14-18-6-8-19(9-7-18)16(2)3/h6-9,16-17H,5,10-15H2,1-4H3,(H,22,27)(H,23,26)/t17-/m0/s1
InChIKeyFDWHBMRRRMUHFU-KRWDZBQOSA-N
MW374.53 g/mol
LogP1.57
Rot. Bonds8

About (2S)-N-ethyl-2-[[2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetyl]amino]propanamide

(2S)-N-ethyl-2-[[2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetyl]amino]propanamide (PubChem CID 8616835) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is (2S)-N-ethyl-2-[[2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-ethyl-2-[[2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetyl]amino]propanamide
PubChem CID8616835
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name(2S)-N-ethyl-2-[[2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetyl]amino]propanamide
SMILESCCNC(=O)[C@H](C)NC(=O)CN1CCN(Cc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C21H34N4O2/c1-5-22-21(27)17(4)23-20(26)15-25-12-10-24(11-13-25)14-18-6-8-19(9-7-18)16(2)3/h6-9,16-17H,5,10-15H2,1-4H3,(H,22,27)(H,23,26)/t17-/m0/s1
InChIKeyFDWHBMRRRMUHFU-KRWDZBQOSA-N
XLogP1.57
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-ethyl-2-[[2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetyl]amino]propanamide with MolForge

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Related Compounds

N-[(2R)-3-methylbutan-2-yl]-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetamide
CID 8710475
N-[1-(4-chlorophenyl)ethyl]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 42914266
2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 9300372
(2S)-N-ethyl-2-[[2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetyl]amino]propanamide
CID 8972470
N-ethyl-2-[4-[[4-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 110007949
methyl 4-[[[2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetyl]amino]methyl]benzoate
CID 9300602
2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-[1-(4-propylphenyl)ethyl]acetamide
CID 17148718
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130606
(2R)-2-[[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetyl]amino]-N-propylpropanamide
CID 8804679
N-[(1R)-1-(4-ethylphenyl)ethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130598
ethyl 4-[[2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetyl]amino]piperidine-1-carboxylate
CID 8616599
1-piperidin-1-yl-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanone
CID 9208442

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-2-[[2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetyl]amino]propanamide?
The IUPAC name of (2S)-N-ethyl-2-[[2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetyl]amino]propanamide (CID 8616835) is (2S)-N-ethyl-2-[[2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetyl]amino]propanamide.
What is the SMILES notation for (2S)-N-ethyl-2-[[2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetyl]amino]propanamide?
The canonical SMILES for (2S)-N-ethyl-2-[[2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetyl]amino]propanamide is CCNC(=O)[C@H](C)NC(=O)CN1CCN(Cc2ccc(C(C)C)cc2)CC1.
What is the InChIKey of (2S)-N-ethyl-2-[[2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetyl]amino]propanamide?
The InChIKey is FDWHBMRRRMUHFU-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-5-22-21(27)17(4)23-20(26)15-25-12-10-24(11-13-25)14-18-6-8-19(9-7-18)16(2)3/h6-9,16-17H,5,10-15H2,1-4H3,(H,22,27)(H,23,26)/t17-/m0/s1.
What are the key properties of (2S)-N-ethyl-2-[[2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetyl]amino]propanamide?
(2S)-N-ethyl-2-[[2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetyl]amino]propanamide has a molecular weight of 374.53 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-2-[[2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetyl]amino]propanamide is sourced from PubChem (CID 8616835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).