(2S)-N-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylacetamide

C22H27N3O — CID 9029671

IUPAC(2S)-N-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylacetamide
SMILESCc1ccccc1N1CCN([C@H](C(=O)NC2CC2)c2ccccc2)CC1
InChIInChI=1S/C22H27N3O/c1-17-7-5-6-10-20(17)24-13-15-25(16-14-24)21(18-8-3-2-4-9-18)22(26)23-19-11-12-19/h2-10,19,21H,11-16H2,1H3,(H,23,26)/t21-/m0/s1
InChIKeyGTOKSCRINPDXKK-NRFANRHFSA-N
MW349.48 g/mol
LogP3.14
Rot. Bonds5

About (2S)-N-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylacetamide

(2S)-N-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylacetamide (PubChem CID 9029671) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylacetamide
PubChem CID9029671
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name(2S)-N-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylacetamide
SMILESCc1ccccc1N1CCN([C@H](C(=O)NC2CC2)c2ccccc2)CC1
InChIInChI=1S/C22H27N3O/c1-17-7-5-6-10-20(17)24-13-15-25(16-14-24)21(18-8-3-2-4-9-18)22(26)23-19-11-12-19/h2-10,19,21H,11-16H2,1H3,(H,23,26)/t21-/m0/s1
InChIKeyGTOKSCRINPDXKK-NRFANRHFSA-N
XLogP3.14
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-cyclopropyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 9033055
(2S)-2-(4-acetylpiperazin-1-yl)-N-cyclopropyl-2-phenylacetamide
CID 9033825
(2S)-N-cyclopropyl-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-phenylacetamide
CID 9027643
(2S)-2-[4-(4-acetylphenyl)piperazin-1-yl]-N-cyclopropyl-2-phenylacetamide
CID 9029338
ethyl 1-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxylate
CID 9046776
(2R)-N-cyclopropyl-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide
CID 9038052
(2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylpropanamide
CID 8725198
(2S)-N-(2-methoxy-5-methylphenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylacetamide
CID 8726424
(2S)-N-cyclopropyl-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylacetamide
CID 51887029
(2R)-N-cyclopropyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 94797745
N-cyclopropyl-2-[3-(methylamino)piperidin-1-yl]-2-phenylacetamide
CID 119918563
2-(4-methylpiperazin-1-yl)-2-phenyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119453034

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylacetamide?
The IUPAC name of (2S)-N-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylacetamide (CID 9029671) is (2S)-N-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylacetamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylacetamide is Cc1ccccc1N1CCN([C@H](C(=O)NC2CC2)c2ccccc2)CC1.
What is the InChIKey of (2S)-N-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylacetamide?
The InChIKey is GTOKSCRINPDXKK-NRFANRHFSA-N. The full InChI is InChI=1S/C22H27N3O/c1-17-7-5-6-10-20(17)24-13-15-25(16-14-24)21(18-8-3-2-4-9-18)22(26)23-19-11-12-19/h2-10,19,21H,11-16H2,1H3,(H,23,26)/t21-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylacetamide?
(2S)-N-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylacetamide has a molecular weight of 349.48 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 9029671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).