2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C25H32N4O4 — CID 25356675

IUPAC2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCOc1ccc(N2CCN(C(=O)CNc3ccccc3C(=O)NC[C@@H]3CCCO3)CC2)cc1
InChIInChI=1S/C25H32N4O4/c1-32-20-10-8-19(9-11-20)28-12-14-29(15-13-28)24(30)18-26-23-7-3-2-6-22(23)25(31)27-17-21-5-4-16-33-21/h2-3,6-11,21,26H,4-5,12-18H2,1H3,(H,27,31)/t21-/m0/s1
InChIKeyAYHNQRUBBGKWSY-NRFANRHFSA-N
MW452.56 g/mol
LogP2.36
Rot. Bonds8

About 2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide

2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 25356675) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is 2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID25356675
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC Name2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCOc1ccc(N2CCN(C(=O)CNc3ccccc3C(=O)NC[C@@H]3CCCO3)CC2)cc1
InChIInChI=1S/C25H32N4O4/c1-32-20-10-8-19(9-11-20)28-12-14-29(15-13-28)24(30)18-26-23-7-3-2-6-22(23)25(31)27-17-21-5-4-16-33-21/h2-3,6-11,21,26H,4-5,12-18H2,1H3,(H,27,31)/t21-/m0/s1
InChIKeyAYHNQRUBBGKWSY-NRFANRHFSA-N
XLogP2.36
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 33167235
N-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]benzamide
CID 41143724
5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109184994
2-[[(2R)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 92647201
N-[[(2R)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]benzamide
CID 25383704
N-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]amino]benzamide
CID 25383699
N-(oxolan-2-ylmethyl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113105588
1-(4-methoxyphenyl)sulfonyl-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-4-carboxamide
CID 100656018
2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 92756865
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 8843784
2-[[[4-(4-methoxyphenyl)piperazin-1-yl]-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111541432
2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 41084647

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 25356675) is 2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide is COc1ccc(N2CCN(C(=O)CNc3ccccc3C(=O)NC[C@@H]3CCCO3)CC2)cc1.
What is the InChIKey of 2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is AYHNQRUBBGKWSY-NRFANRHFSA-N. The full InChI is InChI=1S/C25H32N4O4/c1-32-20-10-8-19(9-11-20)28-12-14-29(15-13-28)24(30)18-26-23-7-3-2-6-22(23)25(31)27-17-21-5-4-16-33-21/h2-3,6-11,21,26H,4-5,12-18H2,1H3,(H,27,31)/t21-/m0/s1.
What are the key properties of 2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 452.56 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 25356675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).