(2S,3S)-N-(1-benzylpiperidin-4-yl)-2-(4-chlorophenyl)-5-oxooxolane-3-carboxamide

C23H25ClN2O3 — CID 70841676

IUPAC(2S,3S)-N-(1-benzylpiperidin-4-yl)-2-(4-chlorophenyl)-5-oxooxolane-3-carboxamide
SMILESO=C1C[C@H](C(=O)NC2CCN(Cc3ccccc3)CC2)[C@@H](c2ccc(Cl)cc2)O1
InChIInChI=1S/C23H25ClN2O3/c24-18-8-6-17(7-9-18)22-20(14-21(27)29-22)23(28)25-19-10-12-26(13-11-19)15-16-4-2-1-3-5-16/h1-9,19-20,22H,10-15H2,(H,25,28)/t20-,22+/m0/s1
InChIKeyZKVLLWLBBUDCQX-RBBKRZOGSA-N
MW412.92 g/mol
LogP3.72
Rot. Bonds5

About (2S,3S)-N-(1-benzylpiperidin-4-yl)-2-(4-chlorophenyl)-5-oxooxolane-3-carboxamide

(2S,3S)-N-(1-benzylpiperidin-4-yl)-2-(4-chlorophenyl)-5-oxooxolane-3-carboxamide (PubChem CID 70841676) has the molecular formula C23H25ClN2O3 and a molecular weight of 412.92 g/mol. Its IUPAC name is (2S,3S)-N-(1-benzylpiperidin-4-yl)-2-(4-chlorophenyl)-5-oxooxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-(1-benzylpiperidin-4-yl)-2-(4-chlorophenyl)-5-oxooxolane-3-carboxamide
PubChem CID70841676
Molecular FormulaC23H25ClN2O3
Molecular Weight412.92 g/mol
Exact Mass412.16
IUPAC Name(2S,3S)-N-(1-benzylpiperidin-4-yl)-2-(4-chlorophenyl)-5-oxooxolane-3-carboxamide
SMILESO=C1C[C@H](C(=O)NC2CCN(Cc3ccccc3)CC2)[C@@H](c2ccc(Cl)cc2)O1
InChIInChI=1S/C23H25ClN2O3/c24-18-8-6-17(7-9-18)22-20(14-21(27)29-22)23(28)25-19-10-12-26(13-11-19)15-16-4-2-1-3-5-16/h1-9,19-20,22H,10-15H2,(H,25,28)/t20-,22+/m0/s1
InChIKeyZKVLLWLBBUDCQX-RBBKRZOGSA-N
XLogP3.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,3S)-N-(1-benzylpiperidin-4-yl)-2-(4-chlorophenyl)-5-oxooxolane-3-carboxamide with MolForge

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Related Compounds

(Z)-but-2-enedioic acid;(2R,3R)-2-(4-chlorophenyl)-5-oxo-N-[1-[(2,3,5-trifluorophenyl)methyl]piperidin-4-yl]oxolane-3-carboxamide
CID 73050891
N-(1-benzylpiperidin-4-yl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 42656174
(3S)-N-(1-benzylpiperidin-4-yl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 39354010
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylcyclopropane-1-carboxamide
CID 18121065
(3S)-N-(1-benzylpiperidin-4-yl)-1-(4-chlorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 93059092
(2R,3R)-2-(4-chlorophenyl)-5-oxooxolane-3-carboxylic acid
CID 97034925
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
N-(1-benzylpiperidin-4-yl)-2,2-dichlorocyclopropane-1-carboxamide
CID 24654457
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 55438051
(1R,4S)-3-[(1-benzylpiperidin-4-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 59351961
(3S)-N-(1-benzylpiperidin-4-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 42234773

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-(1-benzylpiperidin-4-yl)-2-(4-chlorophenyl)-5-oxooxolane-3-carboxamide?
The IUPAC name of (2S,3S)-N-(1-benzylpiperidin-4-yl)-2-(4-chlorophenyl)-5-oxooxolane-3-carboxamide (CID 70841676) is (2S,3S)-N-(1-benzylpiperidin-4-yl)-2-(4-chlorophenyl)-5-oxooxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-(1-benzylpiperidin-4-yl)-2-(4-chlorophenyl)-5-oxooxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-N-(1-benzylpiperidin-4-yl)-2-(4-chlorophenyl)-5-oxooxolane-3-carboxamide is O=C1C[C@H](C(=O)NC2CCN(Cc3ccccc3)CC2)[C@@H](c2ccc(Cl)cc2)O1.
What is the InChIKey of (2S,3S)-N-(1-benzylpiperidin-4-yl)-2-(4-chlorophenyl)-5-oxooxolane-3-carboxamide?
The InChIKey is ZKVLLWLBBUDCQX-RBBKRZOGSA-N. The full InChI is InChI=1S/C23H25ClN2O3/c24-18-8-6-17(7-9-18)22-20(14-21(27)29-22)23(28)25-19-10-12-26(13-11-19)15-16-4-2-1-3-5-16/h1-9,19-20,22H,10-15H2,(H,25,28)/t20-,22+/m0/s1.
What are the key properties of (2S,3S)-N-(1-benzylpiperidin-4-yl)-2-(4-chlorophenyl)-5-oxooxolane-3-carboxamide?
(2S,3S)-N-(1-benzylpiperidin-4-yl)-2-(4-chlorophenyl)-5-oxooxolane-3-carboxamide has a molecular weight of 412.92 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-(1-benzylpiperidin-4-yl)-2-(4-chlorophenyl)-5-oxooxolane-3-carboxamide is sourced from PubChem (CID 70841676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).