N-[[(2R,3S,4R)-3-hydroxy-4-(piperidin-4-ylamino)oxolan-2-yl]methyl]benzamide

C17H25N3O3 — CID 75536616

IUPACN-[[(2R,3S,4R)-3-hydroxy-4-(piperidin-4-ylamino)oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@H]1OC[C@@H](NC2CCNCC2)[C@@H]1O)c1ccccc1
InChIInChI=1S/C17H25N3O3/c21-16-14(20-13-6-8-18-9-7-13)11-23-15(16)10-19-17(22)12-4-2-1-3-5-12/h1-5,13-16,18,20-21H,6-11H2,(H,19,22)/t14-,15-,16+/m1/s1
InChIKeyCBRIRUUZMNCKNL-OAGGEKHMSA-N
MW319.40 g/mol
LogP-0.11
Rot. Bonds5

About N-[[(2R,3S,4R)-3-hydroxy-4-(piperidin-4-ylamino)oxolan-2-yl]methyl]benzamide

N-[[(2R,3S,4R)-3-hydroxy-4-(piperidin-4-ylamino)oxolan-2-yl]methyl]benzamide (PubChem CID 75536616) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-3-hydroxy-4-(piperidin-4-ylamino)oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-3-hydroxy-4-(piperidin-4-ylamino)oxolan-2-yl]methyl]benzamide
PubChem CID75536616
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC NameN-[[(2R,3S,4R)-3-hydroxy-4-(piperidin-4-ylamino)oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@H]1OC[C@@H](NC2CCNCC2)[C@@H]1O)c1ccccc1
InChIInChI=1S/C17H25N3O3/c21-16-14(20-13-6-8-18-9-7-13)11-23-15(16)10-19-17(22)12-4-2-1-3-5-12/h1-5,13-16,18,20-21H,6-11H2,(H,19,22)/t14-,15-,16+/m1/s1
InChIKeyCBRIRUUZMNCKNL-OAGGEKHMSA-N
XLogP-0.11
TPSA82.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 5-0.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[[(2R,3S,4R)-3-hydroxy-4-(piperidin-4-ylamino)oxolan-2-yl]methyl]benzamide with MolForge

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Related Compounds

N-[[3-hydroxy-4-(oxetan-3-ylamino)oxolan-2-yl]methyl]benzamide
CID 162944114
N-[[4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 162789752
N-[[(2R,3S,4R)-3-hydroxy-4-(oxan-4-ylamino)oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 75536789
N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 75367085
N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 75536621
1-[[(2R,3S,4R)-3-hydroxy-4-(piperidin-4-ylamino)oxolan-2-yl]methyl]-3-propan-2-ylurea
CID 75536725
N-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide
CID 75536639
4-fluoro-N-[[(2R,3S,4R)-4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 75536649
N-[[(2R,3S,4R)-4-(benzamidomethyl)-3-hydroxyoxolan-2-yl]methyl]pyrimidine-5-carboxamide
CID 129207208
4-fluoro-N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 75536640
N-(piperidin-4-ylcarbamoyl)benzamide
CID 12608582
N-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
CID 75536598

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-(piperidin-4-ylamino)oxolan-2-yl]methyl]benzamide?
The IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-(piperidin-4-ylamino)oxolan-2-yl]methyl]benzamide (CID 75536616) is N-[[(2R,3S,4R)-3-hydroxy-4-(piperidin-4-ylamino)oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[(2R,3S,4R)-3-hydroxy-4-(piperidin-4-ylamino)oxolan-2-yl]methyl]benzamide?
The canonical SMILES for N-[[(2R,3S,4R)-3-hydroxy-4-(piperidin-4-ylamino)oxolan-2-yl]methyl]benzamide is O=C(NC[C@H]1OC[C@@H](NC2CCNCC2)[C@@H]1O)c1ccccc1.
What is the InChIKey of N-[[(2R,3S,4R)-3-hydroxy-4-(piperidin-4-ylamino)oxolan-2-yl]methyl]benzamide?
The InChIKey is CBRIRUUZMNCKNL-OAGGEKHMSA-N. The full InChI is InChI=1S/C17H25N3O3/c21-16-14(20-13-6-8-18-9-7-13)11-23-15(16)10-19-17(22)12-4-2-1-3-5-12/h1-5,13-16,18,20-21H,6-11H2,(H,19,22)/t14-,15-,16+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-3-hydroxy-4-(piperidin-4-ylamino)oxolan-2-yl]methyl]benzamide?
N-[[(2R,3S,4R)-3-hydroxy-4-(piperidin-4-ylamino)oxolan-2-yl]methyl]benzamide has a molecular weight of 319.40 g/mol, XLogP of -0.11, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-3-hydroxy-4-(piperidin-4-ylamino)oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 75536616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).