(3S)-N-(2-oxo-2-piperidin-1-ylethyl)-N-phenyloxolane-3-carboxamide

C18H24N2O3 — CID 95620326

IUPAC(3S)-N-(2-oxo-2-piperidin-1-ylethyl)-N-phenyloxolane-3-carboxamide
SMILESO=C(CN(C(=O)[C@H]1CCOC1)c1ccccc1)N1CCCCC1
InChIInChI=1S/C18H24N2O3/c21-17(19-10-5-2-6-11-19)13-20(16-7-3-1-4-8-16)18(22)15-9-12-23-14-15/h1,3-4,7-8,15H,2,5-6,9-14H2/t15-/m0/s1
InChIKeyDTQHIXKMHBSTHL-HNNXBMFYSA-N
MW316.40 g/mol
LogP2.07
Rot. Bonds4

About (3S)-N-(2-oxo-2-piperidin-1-ylethyl)-N-phenyloxolane-3-carboxamide

(3S)-N-(2-oxo-2-piperidin-1-ylethyl)-N-phenyloxolane-3-carboxamide (PubChem CID 95620326) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is (3S)-N-(2-oxo-2-piperidin-1-ylethyl)-N-phenyloxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-oxo-2-piperidin-1-ylethyl)-N-phenyloxolane-3-carboxamide
PubChem CID95620326
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name(3S)-N-(2-oxo-2-piperidin-1-ylethyl)-N-phenyloxolane-3-carboxamide
SMILESO=C(CN(C(=O)[C@H]1CCOC1)c1ccccc1)N1CCCCC1
InChIInChI=1S/C18H24N2O3/c21-17(19-10-5-2-6-11-19)13-20(16-7-3-1-4-8-16)18(22)15-9-12-23-14-15/h1,3-4,7-8,15H,2,5-6,9-14H2/t15-/m0/s1
InChIKeyDTQHIXKMHBSTHL-HNNXBMFYSA-N
XLogP2.07
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(azepan-1-yl)-2-oxoethyl]-N-phenylacetamide
CID 113167153
(3S)-N-phenyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 95629587
N-ethyl-N-phenyloxane-3-carboxamide
CID 110857893
(3R)-N-(cyclopropylmethyl)-N-phenyloxane-3-carboxamide
CID 97082635
N-(furan-2-ylmethyl)-N-phenyloxolane-3-carboxamide
CID 5047915
(3S)-N-phenyl-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide
CID 124592122
(3R)-N-phenyl-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide
CID 124592121
N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-phenyloxolane-3-carboxamide
CID 4603731
1-(azepan-1-yl)-2-(N-ethylanilino)ethanone
CID 54808944
2-[4-(oxolane-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 86850684
[(3S)-oxolan-3-yl]-[(3R)-3-phenylazepan-1-yl]methanone
CID 129354509
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-chlorophenyl)acetamide
CID 113171182

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-oxo-2-piperidin-1-ylethyl)-N-phenyloxolane-3-carboxamide?
The IUPAC name of (3S)-N-(2-oxo-2-piperidin-1-ylethyl)-N-phenyloxolane-3-carboxamide (CID 95620326) is (3S)-N-(2-oxo-2-piperidin-1-ylethyl)-N-phenyloxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-oxo-2-piperidin-1-ylethyl)-N-phenyloxolane-3-carboxamide?
The canonical SMILES for (3S)-N-(2-oxo-2-piperidin-1-ylethyl)-N-phenyloxolane-3-carboxamide is O=C(CN(C(=O)[C@H]1CCOC1)c1ccccc1)N1CCCCC1.
What is the InChIKey of (3S)-N-(2-oxo-2-piperidin-1-ylethyl)-N-phenyloxolane-3-carboxamide?
The InChIKey is DTQHIXKMHBSTHL-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-17(19-10-5-2-6-11-19)13-20(16-7-3-1-4-8-16)18(22)15-9-12-23-14-15/h1,3-4,7-8,15H,2,5-6,9-14H2/t15-/m0/s1.
What are the key properties of (3S)-N-(2-oxo-2-piperidin-1-ylethyl)-N-phenyloxolane-3-carboxamide?
(3S)-N-(2-oxo-2-piperidin-1-ylethyl)-N-phenyloxolane-3-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-oxo-2-piperidin-1-ylethyl)-N-phenyloxolane-3-carboxamide is sourced from PubChem (CID 95620326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).