(2S)-N-(ethylcarbamoyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylacetamide

C23H30N4O3 — CID 9130513

IUPAC(2S)-N-(ethylcarbamoyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylacetamide
SMILESCCNC(=O)NC(=O)[C@H](c1ccccc1)N1CCN(Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C23H30N4O3/c1-3-24-23(29)25-22(28)21(19-7-5-4-6-8-19)27-15-13-26(14-16-27)17-18-9-11-20(30-2)12-10-18/h4-12,21H,3,13-17H2,1-2H3,(H2,24,25,28,29)/t21-/m0/s1
InChIKeyCVHWRUYYZICGKF-NRFANRHFSA-N
MW410.52 g/mol
LogP2.40
Rot. Bonds7

About (2S)-N-(ethylcarbamoyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylacetamide

(2S)-N-(ethylcarbamoyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylacetamide (PubChem CID 9130513) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is (2S)-N-(ethylcarbamoyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-(ethylcarbamoyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylacetamide
PubChem CID9130513
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name(2S)-N-(ethylcarbamoyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylacetamide
SMILESCCNC(=O)NC(=O)[C@H](c1ccccc1)N1CCN(Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C23H30N4O3/c1-3-24-23(29)25-22(28)21(19-7-5-4-6-8-19)27-15-13-26(14-16-27)17-18-9-11-20(30-2)12-10-18/h4-12,21H,3,13-17H2,1-2H3,(H2,24,25,28,29)/t21-/m0/s1
InChIKeyCVHWRUYYZICGKF-NRFANRHFSA-N
XLogP2.40
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,2-diphenylethanone
CID 12505294
(2R)-N-(ethylcarbamoyl)-2-phenyl-2-piperidin-1-ylacetamide
CID 26551632
ethyl 4-[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]piperazine-1-carboxylate
CID 8543837
1-(4-chlorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone
CID 12505299
(2S)-N-(ethylcarbamoyl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-phenylacetamide
CID 30152167
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(ethylcarbamoyl)-2-phenylacetamide
CID 55432084
2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-(ethylcarbamoyl)-2-phenylacetamide
CID 55543892
N-(benzylcarbamoyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 55470639
2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(ethylcarbamoyl)-2-phenylacetamide
CID 46614784
(2R)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(ethylcarbamoyl)-2-phenylacetamide
CID 11933944
2-methoxy-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-phenylacetamide
CID 60599952
1-(1,2-diphenylethyl)-4-[(4-methoxyphenyl)methyl]piperazine;hydrochloride
CID 90668406

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(ethylcarbamoyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylacetamide?
The IUPAC name of (2S)-N-(ethylcarbamoyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylacetamide (CID 9130513) is (2S)-N-(ethylcarbamoyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for (2S)-N-(ethylcarbamoyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylacetamide?
The canonical SMILES for (2S)-N-(ethylcarbamoyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylacetamide is CCNC(=O)NC(=O)[C@H](c1ccccc1)N1CCN(Cc2ccc(OC)cc2)CC1.
What is the InChIKey of (2S)-N-(ethylcarbamoyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylacetamide?
The InChIKey is CVHWRUYYZICGKF-NRFANRHFSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-3-24-23(29)25-22(28)21(19-7-5-4-6-8-19)27-15-13-26(14-16-27)17-18-9-11-20(30-2)12-10-18/h4-12,21H,3,13-17H2,1-2H3,(H2,24,25,28,29)/t21-/m0/s1.
What are the key properties of (2S)-N-(ethylcarbamoyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylacetamide?
(2S)-N-(ethylcarbamoyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylacetamide has a molecular weight of 410.52 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(ethylcarbamoyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 9130513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).