N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-4-piperidin-1-ylbenzamide

C18H26N2O4 — CID 154823860

IUPACN-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-4-piperidin-1-ylbenzamide
SMILESO=C(N[C@H]1CCO[C@H](CO)[C@H]1O)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C18H26N2O4/c21-12-16-17(22)15(8-11-24-16)19-18(23)13-4-6-14(7-5-13)20-9-2-1-3-10-20/h4-7,15-17,21-22H,1-3,8-12H2,(H,19,23)/t15-,16+,17-/m0/s1
InChIKeyAJXWFUGPEYVOKQ-BBWFWOEESA-N
MW334.42 g/mol
LogP0.92
Rot. Bonds4

About N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-4-piperidin-1-ylbenzamide

N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-4-piperidin-1-ylbenzamide (PubChem CID 154823860) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-4-piperidin-1-ylbenzamide
PubChem CID154823860
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC NameN-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-4-piperidin-1-ylbenzamide
SMILESO=C(N[C@H]1CCO[C@H](CO)[C@H]1O)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C18H26N2O4/c21-12-16-17(22)15(8-11-24-16)19-18(23)13-4-6-14(7-5-13)20-9-2-1-3-10-20/h4-7,15-17,21-22H,1-3,8-12H2,(H,19,23)/t15-,16+,17-/m0/s1
InChIKeyAJXWFUGPEYVOKQ-BBWFWOEESA-N
XLogP0.92
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-4-piperidin-1-ylbenzamide
CID 21368345
N-[(3S,4R)-3-hydroxyoxan-4-yl]-4-pyrrolidin-1-ylbenzamide
CID 91761594
N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1,3-benzodioxole-5-carboxamide
CID 154567269
N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 154571770
4-[(2-fluorophenyl)methoxy]-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]benzamide
CID 146038093
N-cyclopentyl-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide
CID 166847333
N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-5-methylthiophene-2-carboxamide
CID 154823440
N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-4-pyrrolidin-1-ylbenzamide
CID 91772007
5-chloro-2-fluoro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]benzamide
CID 154563568
N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-4-pyrrolidin-1-ylbenzamide
CID 110127780
N-(2,6-dihydroxypiperidin-3-yl)-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide
CID 176705733
4-piperidin-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 135096933

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-4-piperidin-1-ylbenzamide?
The IUPAC name of N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-4-piperidin-1-ylbenzamide (CID 154823860) is N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-4-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-4-piperidin-1-ylbenzamide?
The canonical SMILES for N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-4-piperidin-1-ylbenzamide is O=C(N[C@H]1CCO[C@H](CO)[C@H]1O)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-4-piperidin-1-ylbenzamide?
The InChIKey is AJXWFUGPEYVOKQ-BBWFWOEESA-N. The full InChI is InChI=1S/C18H26N2O4/c21-12-16-17(22)15(8-11-24-16)19-18(23)13-4-6-14(7-5-13)20-9-2-1-3-10-20/h4-7,15-17,21-22H,1-3,8-12H2,(H,19,23)/t15-,16+,17-/m0/s1.
What are the key properties of N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-4-piperidin-1-ylbenzamide?
N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-4-piperidin-1-ylbenzamide has a molecular weight of 334.42 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 154823860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).