2-(4-benzoylpiperazin-1-ium-1-yl)-N-benzyl-N-[(1S)-1-cyclopropylethyl]acetamide

C25H32N3O2+ — CID 8597088

IUPAC2-(4-benzoylpiperazin-1-ium-1-yl)-N-benzyl-N-[(1S)-1-cyclopropylethyl]acetamide
SMILESC[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+]1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C25H31N3O2/c1-20(22-12-13-22)28(18-21-8-4-2-5-9-21)24(29)19-26-14-16-27(17-15-26)25(30)23-10-6-3-7-11-23/h2-11,20,22H,12-19H2,1H3/p+1/t20-/m0/s1
InChIKeyXTWRURLTHJLZKH-FQEVSTJZSA-O
MW406.55 g/mol
LogP1.85
Rot. Bonds7

About 2-(4-benzoylpiperazin-1-ium-1-yl)-N-benzyl-N-[(1S)-1-cyclopropylethyl]acetamide

2-(4-benzoylpiperazin-1-ium-1-yl)-N-benzyl-N-[(1S)-1-cyclopropylethyl]acetamide (PubChem CID 8597088) has the molecular formula C25H32N3O2+ and a molecular weight of 406.55 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-ium-1-yl)-N-benzyl-N-[(1S)-1-cyclopropylethyl]acetamide.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-ium-1-yl)-N-benzyl-N-[(1S)-1-cyclopropylethyl]acetamide
PubChem CID8597088
Molecular FormulaC25H32N3O2+
Molecular Weight406.55 g/mol
Exact Mass406.25
IUPAC Name2-(4-benzoylpiperazin-1-ium-1-yl)-N-benzyl-N-[(1S)-1-cyclopropylethyl]acetamide
SMILESC[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+]1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C25H31N3O2/c1-20(22-12-13-22)28(18-21-8-4-2-5-9-21)24(29)19-26-14-16-27(17-15-26)25(30)23-10-6-3-7-11-23/h2-11,20,22H,12-19H2,1H3/p+1/t20-/m0/s1
InChIKeyXTWRURLTHJLZKH-FQEVSTJZSA-O
XLogP1.85
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Benzoyl-1-piperazinyl)-1-propanone
CID 4223812
AR-M1000390
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1-Benzoylpiperazine
CID 762654
N-(1-(Phenylmethyl)-4-piperidinyl)benzamide
CID 40598
4-[(S)-[(2S,5R)-2,5-Dimethyl-4-(2-propenyl)-1-piperazinyl]phenylmethyl]-N,N-diethylbenzamide
CID 6604878
N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940
N-4-Piperidylbenzamide
CID 118120
4-Fluoro-N-[(2S)-1-oxo-1-[[(E,3S)-6-oxo-1-phenylhept-4-en-3-yl]amino]-3-phenylpropan-2-yl]benzamide
CID 155537428
CID 137553162
CID 137553162
CID 164946740
CID 164946740
N-(N-benzylpiperidin-4-yl)-4-iodobenzamide
CID 132995

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperazin-1-ium-1-yl)-N-benzyl-N-[(1S)-1-cyclopropylethyl]acetamide?
The IUPAC name of 2-(4-benzoylpiperazin-1-ium-1-yl)-N-benzyl-N-[(1S)-1-cyclopropylethyl]acetamide (CID 8597088) is 2-(4-benzoylpiperazin-1-ium-1-yl)-N-benzyl-N-[(1S)-1-cyclopropylethyl]acetamide.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-ium-1-yl)-N-benzyl-N-[(1S)-1-cyclopropylethyl]acetamide?
The canonical SMILES for 2-(4-benzoylpiperazin-1-ium-1-yl)-N-benzyl-N-[(1S)-1-cyclopropylethyl]acetamide is C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+]1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 2-(4-benzoylpiperazin-1-ium-1-yl)-N-benzyl-N-[(1S)-1-cyclopropylethyl]acetamide?
The InChIKey is XTWRURLTHJLZKH-FQEVSTJZSA-O. The full InChI is InChI=1S/C25H31N3O2/c1-20(22-12-13-22)28(18-21-8-4-2-5-9-21)24(29)19-26-14-16-27(17-15-26)25(30)23-10-6-3-7-11-23/h2-11,20,22H,12-19H2,1H3/p+1/t20-/m0/s1.
What are the key properties of 2-(4-benzoylpiperazin-1-ium-1-yl)-N-benzyl-N-[(1S)-1-cyclopropylethyl]acetamide?
2-(4-benzoylpiperazin-1-ium-1-yl)-N-benzyl-N-[(1S)-1-cyclopropylethyl]acetamide has a molecular weight of 406.55 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperazin-1-ium-1-yl)-N-benzyl-N-[(1S)-1-cyclopropylethyl]acetamide is sourced from PubChem (CID 8597088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).