N-[[4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]benzamide

C19H27N3O4 — CID 162789752

IUPACN-[[4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]benzamide
SMILESCC(=O)N1CCC(NC2COC(CNC(=O)c3ccccc3)C2O)CC1
InChIInChI=1S/C19H27N3O4/c1-13(23)22-9-7-15(8-10-22)21-16-12-26-17(18(16)24)11-20-19(25)14-5-3-2-4-6-14/h2-6,15-18,21,24H,7-12H2,1H3,(H,20,25)
InChIKeyMJKYTIALISUBJQ-UHFFFAOYSA-N
MW361.44 g/mol
LogP0.15
Rot. Bonds5

About N-[[4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]benzamide

N-[[4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]benzamide (PubChem CID 162789752) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-[[4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]benzamide
PubChem CID162789752
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC NameN-[[4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]benzamide
SMILESCC(=O)N1CCC(NC2COC(CNC(=O)c3ccccc3)C2O)CC1
InChIInChI=1S/C19H27N3O4/c1-13(23)22-9-7-15(8-10-22)21-16-12-26-17(18(16)24)11-20-19(25)14-5-3-2-4-6-14/h2-6,15-18,21,24H,7-12H2,1H3,(H,20,25)
InChIKeyMJKYTIALISUBJQ-UHFFFAOYSA-N
XLogP0.15
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-hydroxy-4-(oxetan-3-ylamino)oxolan-2-yl]methyl]benzamide
CID 162944114
N-[[(2R,3S,4R)-3-hydroxy-4-(piperidin-4-ylamino)oxolan-2-yl]methyl]benzamide
CID 75536616
N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 75367085
N-[[(2R,3S,4R)-3-hydroxy-4-(oxan-4-ylamino)oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 75536789
N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 75536621
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
1-acetyl-N-(2-benzamidoethyl)piperidine-4-carboxamide
CID 42878771
N-[[3-hydroxy-4-(oxan-4-ylamino)oxolan-2-yl]methyl]morpholine-4-carboxamide
CID 162967431
N-[[(2R,3S,4R)-4-(benzamidomethyl)-3-hydroxyoxolan-2-yl]methyl]pyrimidine-5-carboxamide
CID 129207208
N-[[(2R,3S,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-(4-methylpiperidin-1-yl)oxolan-2-yl]methyl]benzamide
CID 163056883
N-[[(2R,3S,4R)-4-[bis(pyridin-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 75536471

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]benzamide?
The IUPAC name of N-[[4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]benzamide (CID 162789752) is N-[[4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]benzamide?
The canonical SMILES for N-[[4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]benzamide is CC(=O)N1CCC(NC2COC(CNC(=O)c3ccccc3)C2O)CC1.
What is the InChIKey of N-[[4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]benzamide?
The InChIKey is MJKYTIALISUBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-13(23)22-9-7-15(8-10-22)21-16-12-26-17(18(16)24)11-20-19(25)14-5-3-2-4-6-14/h2-6,15-18,21,24H,7-12H2,1H3,(H,20,25).
What are the key properties of N-[[4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]benzamide?
N-[[4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]benzamide has a molecular weight of 361.44 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 162789752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).