N-[[(3S)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

C20H28ClN3O3 — CID 42564848

IUPACN-[[(3S)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
SMILESCN(C[C@H]1CCCN(CCc2ccc(Cl)cc2)C1)C(=O)CN1CCOC1=O
InChIInChI=1S/C20H28ClN3O3/c1-22(19(25)15-24-11-12-27-20(24)26)13-17-3-2-9-23(14-17)10-8-16-4-6-18(21)7-5-16/h4-7,17H,2-3,8-15H2,1H3/t17-/m1/s1
InChIKeyTYDSSTBTRXTWCO-QGZVFWFLSA-N
MW393.92 g/mol
LogP2.51
Rot. Bonds7

About N-[[(3S)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

N-[[(3S)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide (PubChem CID 42564848) has the molecular formula C20H28ClN3O3 and a molecular weight of 393.92 g/mol. Its IUPAC name is N-[[(3S)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[[(3S)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
PubChem CID42564848
Molecular FormulaC20H28ClN3O3
Molecular Weight393.92 g/mol
Exact Mass393.18
IUPAC NameN-[[(3S)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
SMILESCN(C[C@H]1CCCN(CCc2ccc(Cl)cc2)C1)C(=O)CN1CCOC1=O
InChIInChI=1S/C20H28ClN3O3/c1-22(19(25)15-24-11-12-27-20(24)26)13-17-3-2-9-23(14-17)10-8-16-4-6-18(21)7-5-16/h4-7,17H,2-3,8-15H2,1H3/t17-/m1/s1
InChIKeyTYDSSTBTRXTWCO-QGZVFWFLSA-N
XLogP2.51
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide?
The IUPAC name of N-[[(3S)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide (CID 42564848) is N-[[(3S)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide.
What is the SMILES notation for N-[[(3S)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide?
The canonical SMILES for N-[[(3S)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide is CN(C[C@H]1CCCN(CCc2ccc(Cl)cc2)C1)C(=O)CN1CCOC1=O.
What is the InChIKey of N-[[(3S)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide?
The InChIKey is TYDSSTBTRXTWCO-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H28ClN3O3/c1-22(19(25)15-24-11-12-27-20(24)26)13-17-3-2-9-23(14-17)10-8-16-4-6-18(21)7-5-16/h4-7,17H,2-3,8-15H2,1H3/t17-/m1/s1.
What are the key properties of N-[[(3S)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide?
N-[[(3S)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide has a molecular weight of 393.92 g/mol, XLogP of 2.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide is sourced from PubChem (CID 42564848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).