3-[[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]methyl]benzamide

C18H24N2O3 — CID 97134086

IUPAC3-[[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]methyl]benzamide
SMILESNC(=O)c1cccc(C[C@H]2CCN(C(=O)C3CCOCC3)C2)c1
InChIInChI=1S/C18H24N2O3/c19-17(21)16-3-1-2-13(11-16)10-14-4-7-20(12-14)18(22)15-5-8-23-9-6-15/h1-3,11,14-15H,4-10,12H2,(H2,19,21)/t14-/m1/s1
InChIKeyTURDHISQGORREQ-CQSZACIVSA-N
MW316.40 g/mol
LogP1.60
Rot. Bonds4

About 3-[[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]methyl]benzamide

3-[[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]methyl]benzamide (PubChem CID 97134086) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-[[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]methyl]benzamide
PubChem CID97134086
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name3-[[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]methyl]benzamide
SMILESNC(=O)c1cccc(C[C@H]2CCN(C(=O)C3CCOCC3)C2)c1
InChIInChI=1S/C18H24N2O3/c19-17(21)16-3-1-2-13(11-16)10-14-4-7-20(12-14)18(22)15-5-8-23-9-6-15/h1-3,11,14-15H,4-10,12H2,(H2,19,21)/t14-/m1/s1
InChIKeyTURDHISQGORREQ-CQSZACIVSA-N
XLogP1.60
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[1-(oxane-4-carbonyl)piperidin-4-yl]methyl]benzamide
CID 91911366
3-[[(3R)-1-[2-(azepan-1-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide
CID 95711699
3-[[(3S)-1-(azepan-1-ylsulfonyl)pyrrolidin-3-yl]methyl]benzamide
CID 95719377
3-[[(3R)-1-[2-[cyclopentyl(methyl)amino]acetyl]pyrrolidin-3-yl]methyl]benzamide
CID 95728061
3-[[1-[2-(benzotriazol-2-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide
CID 56912426
3-[[1-[3-[ethyl(methyl)amino]propanoyl]pyrrolidin-3-yl]methyl]benzamide
CID 86283537
3-[[(3R)-1-(4-sulfamoylbutanoyl)pyrrolidin-3-yl]methyl]benzamide
CID 95724298
3-[[(3S)-1-(imidazo[1,2-a]pyridine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 95715110
3-[[1-(4-methyl-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 56911925
(3-benzylpyrrolidin-1-yl)-cyclobutylmethanone
CID 110874334
3-[[(3R)-1-[3-(2,3-dihydroindol-1-yl)propanoyl]pyrrolidin-3-yl]methyl]benzamide
CID 95709196
3-[[(3S)-1-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 95709175

Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 3-[[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]methyl]benzamide (CID 97134086) is 3-[[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 3-[[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 3-[[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]methyl]benzamide is NC(=O)c1cccc(C[C@H]2CCN(C(=O)C3CCOCC3)C2)c1.
What is the InChIKey of 3-[[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]methyl]benzamide?
The InChIKey is TURDHISQGORREQ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N2O3/c19-17(21)16-3-1-2-13(11-16)10-14-4-7-20(12-14)18(22)15-5-8-23-9-6-15/h1-3,11,14-15H,4-10,12H2,(H2,19,21)/t14-/m1/s1.
What are the key properties of 3-[[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]methyl]benzamide?
3-[[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]methyl]benzamide has a molecular weight of 316.40 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 97134086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).