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

C23H27N3O2 — CID 9029338

IUPAC(2S)-2-[4-(4-acetylphenyl)piperazin-1-yl]-N-cyclopropyl-2-phenylacetamide
SMILESCC(=O)c1ccc(N2CCN([C@H](C(=O)NC3CC3)c3ccccc3)CC2)cc1
InChIInChI=1S/C23H27N3O2/c1-17(27)18-7-11-21(12-8-18)25-13-15-26(16-14-25)22(19-5-3-2-4-6-19)23(28)24-20-9-10-20/h2-8,11-12,20,22H,9-10,13-16H2,1H3,(H,24,28)/t22-/m0/s1
InChIKeyANZSTMMSVKRDAH-QFIPXVFZSA-N
MW377.49 g/mol
LogP3.03
Rot. Bonds6

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

(2S)-2-[4-(4-acetylphenyl)piperazin-1-yl]-N-cyclopropyl-2-phenylacetamide (PubChem CID 9029338) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is (2S)-2-[4-(4-acetylphenyl)piperazin-1-yl]-N-cyclopropyl-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[4-(4-acetylphenyl)piperazin-1-yl]-N-cyclopropyl-2-phenylacetamide
PubChem CID9029338
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name(2S)-2-[4-(4-acetylphenyl)piperazin-1-yl]-N-cyclopropyl-2-phenylacetamide
SMILESCC(=O)c1ccc(N2CCN([C@H](C(=O)NC3CC3)c3ccccc3)CC2)cc1
InChIInChI=1S/C23H27N3O2/c1-17(27)18-7-11-21(12-8-18)25-13-15-26(16-14-25)22(19-5-3-2-4-6-19)23(28)24-20-9-10-20/h2-8,11-12,20,22H,9-10,13-16H2,1H3,(H,24,28)/t22-/m0/s1
InChIKeyANZSTMMSVKRDAH-QFIPXVFZSA-N
XLogP3.03
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-cyclopropyl-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-phenylacetamide
CID 9027643
(2S)-2-(4-acetylpiperazin-1-yl)-N-cyclopropyl-2-phenylacetamide
CID 9033825
N-(3-acetylphenyl)-2-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenylacetamide
CID 55351073
(2S)-N-cyclopropyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 9033055
(2S)-N-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylacetamide
CID 9029671
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone
CID 43013060
(2S)-2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 41169147
(2S)-N-cyclopropyl-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylacetamide
CID 51887029
N-cyclopropyl-2-[3-(methylamino)piperidin-1-yl]-2-phenylacetamide
CID 119918563
(2R)-N-cyclopropyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 94797745
2-(4-methylpiperazin-1-yl)-2-phenyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119453034
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide;dihydrochloride
CID 119458426

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(4-acetylphenyl)piperazin-1-yl]-N-cyclopropyl-2-phenylacetamide?
The IUPAC name of (2S)-2-[4-(4-acetylphenyl)piperazin-1-yl]-N-cyclopropyl-2-phenylacetamide (CID 9029338) is (2S)-2-[4-(4-acetylphenyl)piperazin-1-yl]-N-cyclopropyl-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[4-(4-acetylphenyl)piperazin-1-yl]-N-cyclopropyl-2-phenylacetamide?
The canonical SMILES for (2S)-2-[4-(4-acetylphenyl)piperazin-1-yl]-N-cyclopropyl-2-phenylacetamide is CC(=O)c1ccc(N2CCN([C@H](C(=O)NC3CC3)c3ccccc3)CC2)cc1.
What is the InChIKey of (2S)-2-[4-(4-acetylphenyl)piperazin-1-yl]-N-cyclopropyl-2-phenylacetamide?
The InChIKey is ANZSTMMSVKRDAH-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-17(27)18-7-11-21(12-8-18)25-13-15-26(16-14-25)22(19-5-3-2-4-6-19)23(28)24-20-9-10-20/h2-8,11-12,20,22H,9-10,13-16H2,1H3,(H,24,28)/t22-/m0/s1.
What are the key properties of (2S)-2-[4-(4-acetylphenyl)piperazin-1-yl]-N-cyclopropyl-2-phenylacetamide?
(2S)-2-[4-(4-acetylphenyl)piperazin-1-yl]-N-cyclopropyl-2-phenylacetamide has a molecular weight of 377.49 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(4-acetylphenyl)piperazin-1-yl]-N-cyclopropyl-2-phenylacetamide is sourced from PubChem (CID 9029338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).