N-[[(2R)-butan-2-yl]carbamoyl]-2-(4-phenylpiperazin-1-yl)acetamide

C17H26N4O2 — CID 8688385

IUPACN-[[(2R)-butan-2-yl]carbamoyl]-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCC[C@@H](C)NC(=O)NC(=O)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H26N4O2/c1-3-14(2)18-17(23)19-16(22)13-20-9-11-21(12-10-20)15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3,(H2,18,19,22,23)/t14-/m1/s1
InChIKeyYTCBRACVGDAYQB-CQSZACIVSA-N
MW318.42 g/mol
LogP1.43
Rot. Bonds5

About N-[[(2R)-butan-2-yl]carbamoyl]-2-(4-phenylpiperazin-1-yl)acetamide

N-[[(2R)-butan-2-yl]carbamoyl]-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 8688385) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[[(2R)-butan-2-yl]carbamoyl]-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[(2R)-butan-2-yl]carbamoyl]-2-(4-phenylpiperazin-1-yl)acetamide
PubChem CID8688385
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-[[(2R)-butan-2-yl]carbamoyl]-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCC[C@@H](C)NC(=O)NC(=O)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H26N4O2/c1-3-14(2)18-17(23)19-16(22)13-20-9-11-21(12-10-20)15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3,(H2,18,19,22,23)/t14-/m1/s1
InChIKeyYTCBRACVGDAYQB-CQSZACIVSA-N
XLogP1.43
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8690332
N-[[(2R)-butan-2-yl]carbamoyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 8703982
N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 8529938
N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8544518
2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]propanamide
CID 154447735
N-(2-methyl-1-phenylpropyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 51284732
N-butan-2-yl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 17401834
1-[(2S)-1-hydroxypropan-2-yl]-3-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]urea
CID 97019834
2-[4-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperazin-1-yl]-N-phenylacetamide
CID 31691698
N-(3-methylbutyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 109002098
N-[2,6-di(propan-2-yl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 4797794
N-[(2R)-butan-2-yl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 1362793

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-butan-2-yl]carbamoyl]-2-(4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-[[(2R)-butan-2-yl]carbamoyl]-2-(4-phenylpiperazin-1-yl)acetamide (CID 8688385) is N-[[(2R)-butan-2-yl]carbamoyl]-2-(4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[[(2R)-butan-2-yl]carbamoyl]-2-(4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[[(2R)-butan-2-yl]carbamoyl]-2-(4-phenylpiperazin-1-yl)acetamide is CC[C@@H](C)NC(=O)NC(=O)CN1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[[(2R)-butan-2-yl]carbamoyl]-2-(4-phenylpiperazin-1-yl)acetamide?
The InChIKey is YTCBRACVGDAYQB-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-3-14(2)18-17(23)19-16(22)13-20-9-11-21(12-10-20)15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3,(H2,18,19,22,23)/t14-/m1/s1.
What are the key properties of N-[[(2R)-butan-2-yl]carbamoyl]-2-(4-phenylpiperazin-1-yl)acetamide?
N-[[(2R)-butan-2-yl]carbamoyl]-2-(4-phenylpiperazin-1-yl)acetamide has a molecular weight of 318.42 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-butan-2-yl]carbamoyl]-2-(4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 8688385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).