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

C17H25ClN4O2 — CID 8529938

IUPACN-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
SMILESCC[C@H](C)NC(=O)NC(=O)CN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H25ClN4O2/c1-3-13(2)19-17(24)20-16(23)12-21-7-9-22(10-8-21)15-6-4-5-14(18)11-15/h4-6,11,13H,3,7-10,12H2,1-2H3,(H2,19,20,23,24)/t13-/m0/s1
InChIKeyBSOJPSYUUGUCTP-ZDUSSCGKSA-N
MW352.87 g/mol
LogP2.09
Rot. Bonds5

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

N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide (PubChem CID 8529938) has the molecular formula C17H25ClN4O2 and a molecular weight of 352.87 g/mol. Its IUPAC name is N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
PubChem CID8529938
Molecular FormulaC17H25ClN4O2
Molecular Weight352.87 g/mol
Exact Mass352.17
IUPAC NameN-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
SMILESCC[C@H](C)NC(=O)NC(=O)CN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H25ClN4O2/c1-3-13(2)19-17(24)20-16(23)12-21-7-9-22(10-8-21)15-6-4-5-14(18)11-15/h4-6,11,13H,3,7-10,12H2,1-2H3,(H2,19,20,23,24)/t13-/m0/s1
InChIKeyBSOJPSYUUGUCTP-ZDUSSCGKSA-N
XLogP2.09
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2R)-butan-2-yl]carbamoyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 8688385
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 8529745
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
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 8530025
N-butan-2-yl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 17401834
2-[4-(3-chlorophenyl)piperazin-1-yl]acetohydrazide
CID 12578869
N-[(2R)-butan-2-yl]-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 9258777
N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 8530293
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylbutyl]acetamide
CID 9346590
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide
CID 8530111
1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one
CID 60649957

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide (CID 8529938) is N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide is CC[C@H](C)NC(=O)NC(=O)CN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide?
The InChIKey is BSOJPSYUUGUCTP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25ClN4O2/c1-3-13(2)19-17(24)20-16(23)12-21-7-9-22(10-8-21)15-6-4-5-14(18)11-15/h4-6,11,13H,3,7-10,12H2,1-2H3,(H2,19,20,23,24)/t13-/m0/s1.
What are the key properties of N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide?
N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide has a molecular weight of 352.87 g/mol, XLogP of 2.09, 5 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-(3-chlorophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 8529938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).