N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide

C20H30N4O2 — CID 8544518

IUPACN-[[(2S)-butan-2-yl]carbamoyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
SMILESCC[C@H](C)NC(=O)NC(=O)CN1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C20H30N4O2/c1-3-17(2)21-20(26)22-19(25)16-24-14-12-23(13-15-24)11-7-10-18-8-5-4-6-9-18/h4-10,17H,3,11-16H2,1-2H3,(H2,21,22,25,26)/b10-7+/t17-/m0/s1
InChIKeyFIGSIXSBTRTXRV-JEJOPICUSA-N
MW358.49 g/mol
LogP1.94
Rot. Bonds7

About N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide

N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide (PubChem CID 8544518) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[[(2S)-butan-2-yl]carbamoyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
PubChem CID8544518
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN-[[(2S)-butan-2-yl]carbamoyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
SMILESCC[C@H](C)NC(=O)NC(=O)CN1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C20H30N4O2/c1-3-17(2)21-20(26)22-19(25)16-24-14-12-23(13-15-24)11-7-10-18-8-5-4-6-9-18/h4-10,17H,3,11-16H2,1-2H3,(H2,21,22,25,26)/b10-7+/t17-/m0/s1
InChIKeyFIGSIXSBTRTXRV-JEJOPICUSA-N
XLogP1.94
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 108992859
N-[[(2R)-butan-2-yl]carbamoyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 8688385
N-[2,6-di(propan-2-yl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8545309
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)acetamide
CID 109004517
(2R)-N-(methylcarbamoyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 2447593
N-[2-(dimethylamino)ethyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 108994619
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 8621771
N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8690332
2-[[(butan-2-ylamino)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110037506
N-(4-fluorophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 6470321
N-[[(2R)-butan-2-yl]carbamoyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 8703982

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide (CID 8544518) is N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide is CC[C@H](C)NC(=O)NC(=O)CN1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
The InChIKey is FIGSIXSBTRTXRV-JEJOPICUSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-3-17(2)21-20(26)22-19(25)16-24-14-12-23(13-15-24)11-7-10-18-8-5-4-6-9-18/h4-10,17H,3,11-16H2,1-2H3,(H2,21,22,25,26)/b10-7+/t17-/m0/s1.
What are the key properties of N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide has a molecular weight of 358.49 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 8544518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).