(2S)-N-cyclopropyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-phenylacetamide

C22H32N4O2 — CID 30959081

IUPAC(2S)-N-cyclopropyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-phenylacetamide
SMILESO=C(NC1CC1)[C@H](c1ccccc1)N1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C22H32N4O2/c27-20(25-11-5-2-6-12-25)17-24-13-15-26(16-14-24)21(18-7-3-1-4-8-18)22(28)23-19-9-10-19/h1,3-4,7-8,19,21H,2,5-6,9-17H2,(H,23,28)/t21-/m0/s1
InChIKeyGSQIUMDNXAMKCU-NRFANRHFSA-N
MW384.52 g/mol
LogP1.64
Rot. Bonds6

About (2S)-N-cyclopropyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-phenylacetamide

(2S)-N-cyclopropyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-phenylacetamide (PubChem CID 30959081) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-phenylacetamide
PubChem CID30959081
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name(2S)-N-cyclopropyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-phenylacetamide
SMILESO=C(NC1CC1)[C@H](c1ccccc1)N1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C22H32N4O2/c27-20(25-11-5-2-6-12-25)17-24-13-15-26(16-14-24)21(18-7-3-1-4-8-18)22(28)23-19-9-10-19/h1,3-4,7-8,19,21H,2,5-6,9-17H2,(H,23,28)/t21-/m0/s1
InChIKeyGSQIUMDNXAMKCU-NRFANRHFSA-N
XLogP1.64
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N,2-diphenylacetamide
CID 46662933
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(ethylcarbamoyl)-2-phenylacetamide
CID 55432084
(2S)-2-(4-acetylpiperazin-1-yl)-N-cyclopropyl-2-phenylacetamide
CID 9033825
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenyl-1-piperidin-1-ylethanone
CID 55412944
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide
CID 55432148
(2R)-N-cyclopropyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 94797745
(2S)-N-cyclopropyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 9033055
(2S)-N-cyclopropyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide
CID 9046791
N-cyclopropyl-2-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-fluorophenyl)acetamide
CID 24595097
(2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-phenylpropanamide
CID 30738137
1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 35610560
(2S)-N-cyclopropyl-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-phenylacetamide
CID 9027643

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-phenylacetamide?
The IUPAC name of (2S)-N-cyclopropyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-phenylacetamide (CID 30959081) is (2S)-N-cyclopropyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-phenylacetamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-phenylacetamide is O=C(NC1CC1)[C@H](c1ccccc1)N1CCN(CC(=O)N2CCCCC2)CC1.
What is the InChIKey of (2S)-N-cyclopropyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-phenylacetamide?
The InChIKey is GSQIUMDNXAMKCU-NRFANRHFSA-N. The full InChI is InChI=1S/C22H32N4O2/c27-20(25-11-5-2-6-12-25)17-24-13-15-26(16-14-24)21(18-7-3-1-4-8-18)22(28)23-19-9-10-19/h1,3-4,7-8,19,21H,2,5-6,9-17H2,(H,23,28)/t21-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-phenylacetamide?
(2S)-N-cyclopropyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-phenylacetamide has a molecular weight of 384.52 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 30959081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).