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

C25H32N4O2 — CID 9046791

IUPAC(2S)-N-cyclopropyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide
SMILESCCc1ccccc1NC(=O)CN1CCN([C@H](C(=O)NC2CC2)c2ccccc2)CC1
InChIInChI=1S/C25H32N4O2/c1-2-19-8-6-7-11-22(19)27-23(30)18-28-14-16-29(17-15-28)24(20-9-4-3-5-10-20)25(31)26-21-12-13-21/h3-11,21,24H,2,12-18H2,1H3,(H,26,31)(H,27,30)/t24-/m0/s1
InChIKeyDXZGYUSMQWOSFS-DEOSSOPVSA-N
MW420.56 g/mol
LogP2.83
Rot. Bonds8

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

(2S)-N-cyclopropyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide (PubChem CID 9046791) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide
PubChem CID9046791
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name(2S)-N-cyclopropyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide
SMILESCCc1ccccc1NC(=O)CN1CCN([C@H](C(=O)NC2CC2)c2ccccc2)CC1
InChIInChI=1S/C25H32N4O2/c1-2-19-8-6-7-11-22(19)27-23(30)18-28-14-16-29(17-15-28)24(20-9-4-3-5-10-20)25(31)26-21-12-13-21/h3-11,21,24H,2,12-18H2,1H3,(H,26,31)(H,27,30)/t24-/m0/s1
InChIKeyDXZGYUSMQWOSFS-DEOSSOPVSA-N
XLogP2.83
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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(2S)-N-cyclopropyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-phenylacetamide
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(2S)-N-cyclopropyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
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(2S)-2-(4-acetylpiperazin-1-yl)-N-cyclopropyl-2-phenylacetamide
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2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
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N-(2-ethylphenyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]acetamide
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(2S)-N-benzyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 8773224
2-[4-[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide?
The IUPAC name of (2S)-N-cyclopropyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide (CID 9046791) is (2S)-N-cyclopropyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide is CCc1ccccc1NC(=O)CN1CCN([C@H](C(=O)NC2CC2)c2ccccc2)CC1.
What is the InChIKey of (2S)-N-cyclopropyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide?
The InChIKey is DXZGYUSMQWOSFS-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-2-19-8-6-7-11-22(19)27-23(30)18-28-14-16-29(17-15-28)24(20-9-4-3-5-10-20)25(31)26-21-12-13-21/h3-11,21,24H,2,12-18H2,1H3,(H,26,31)(H,27,30)/t24-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide?
(2S)-N-cyclopropyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide has a molecular weight of 420.56 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 9046791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).