N-[(3S,4R)-3-hydroxyoxan-4-yl]-4-pyrrolidin-1-ylbenzamide

C16H22N2O3 — CID 91761594

IUPACN-[(3S,4R)-3-hydroxyoxan-4-yl]-4-pyrrolidin-1-ylbenzamide
SMILESO=C(N[C@@H]1CCOC[C@H]1O)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C16H22N2O3/c19-15-11-21-10-7-14(15)17-16(20)12-3-5-13(6-4-12)18-8-1-2-9-18/h3-6,14-15,19H,1-2,7-11H2,(H,17,20)/t14-,15-/m1/s1
InChIKeyZRAAYPLKQLDFAW-HUUCEWRRSA-N
MW290.36 g/mol
LogP1.17
Rot. Bonds3

About N-[(3S,4R)-3-hydroxyoxan-4-yl]-4-pyrrolidin-1-ylbenzamide

N-[(3S,4R)-3-hydroxyoxan-4-yl]-4-pyrrolidin-1-ylbenzamide (PubChem CID 91761594) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[(3S,4R)-3-hydroxyoxan-4-yl]-4-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-hydroxyoxan-4-yl]-4-pyrrolidin-1-ylbenzamide
PubChem CID91761594
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[(3S,4R)-3-hydroxyoxan-4-yl]-4-pyrrolidin-1-ylbenzamide
SMILESO=C(N[C@@H]1CCOC[C@H]1O)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C16H22N2O3/c19-15-11-21-10-7-14(15)17-16(20)12-3-5-13(6-4-12)18-8-1-2-9-18/h3-6,14-15,19H,1-2,7-11H2,(H,17,20)/t14-,15-/m1/s1
InChIKeyZRAAYPLKQLDFAW-HUUCEWRRSA-N
XLogP1.17
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,4R)-3-hydroxyoxan-4-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 91766537
N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-4-piperidin-1-ylbenzamide
CID 154823860
N-[(3S,4R)-3-ethoxyoxan-4-yl]-4-morpholin-4-ylbenzamide
CID 91764505
N-cyclopropyl-4-piperidin-1-ylbenzamide
CID 21368345
N-(3-aminooxan-4-yl)-4-(2-oxopiperidin-1-yl)benzamide
CID 69439191
N-[(3S,4R)-3-hydroxyoxan-4-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 91768649
4-piperidin-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 135096933
N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-4-pyrrolidin-1-ylbenzamide
CID 91772007
N-[(3S,3aR,6S,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 155913999
N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
CID 30795120
N-(3-aminocyclobutyl)-4-morpholin-4-ylbenzamide
CID 146249126
N-[(3S,4R)-3-hydroxyoxan-4-yl]-3-phenoxybenzamide
CID 91794686

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-hydroxyoxan-4-yl]-4-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-[(3S,4R)-3-hydroxyoxan-4-yl]-4-pyrrolidin-1-ylbenzamide (CID 91761594) is N-[(3S,4R)-3-hydroxyoxan-4-yl]-4-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-[(3S,4R)-3-hydroxyoxan-4-yl]-4-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-[(3S,4R)-3-hydroxyoxan-4-yl]-4-pyrrolidin-1-ylbenzamide is O=C(N[C@@H]1CCOC[C@H]1O)c1ccc(N2CCCC2)cc1.
What is the InChIKey of N-[(3S,4R)-3-hydroxyoxan-4-yl]-4-pyrrolidin-1-ylbenzamide?
The InChIKey is ZRAAYPLKQLDFAW-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-15-11-21-10-7-14(15)17-16(20)12-3-5-13(6-4-12)18-8-1-2-9-18/h3-6,14-15,19H,1-2,7-11H2,(H,17,20)/t14-,15-/m1/s1.
What are the key properties of N-[(3S,4R)-3-hydroxyoxan-4-yl]-4-pyrrolidin-1-ylbenzamide?
N-[(3S,4R)-3-hydroxyoxan-4-yl]-4-pyrrolidin-1-ylbenzamide has a molecular weight of 290.36 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-hydroxyoxan-4-yl]-4-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 91761594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).