N-[(3R,4R)-1-(1-acetylpiperidine-4-carbonyl)-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide

C18H26N4O5 — CID 118766414

IUPACN-[(3R,4R)-1-(1-acetylpiperidine-4-carbonyl)-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCC(=O)N1CCC(C(=O)N2CC[C@@H](NC(=O)c3cc(C)on3)[C@H](O)C2)CC1
InChIInChI=1S/C18H26N4O5/c1-11-9-15(20-27-11)17(25)19-14-5-8-22(10-16(14)24)18(26)13-3-6-21(7-4-13)12(2)23/h9,13-14,16,24H,3-8,10H2,1-2H3,(H,19,25)/t14-,16-/m1/s1
InChIKeyFTLYZKNYJVFINF-GDBMZVCRSA-N
MW378.43 g/mol
LogP-0.07
Rot. Bonds3

About N-[(3R,4R)-1-(1-acetylpiperidine-4-carbonyl)-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide

N-[(3R,4R)-1-(1-acetylpiperidine-4-carbonyl)-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 118766414) has the molecular formula C18H26N4O5 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[(3R,4R)-1-(1-acetylpiperidine-4-carbonyl)-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-1-(1-acetylpiperidine-4-carbonyl)-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID118766414
Molecular FormulaC18H26N4O5
Molecular Weight378.43 g/mol
Exact Mass378.19
IUPAC NameN-[(3R,4R)-1-(1-acetylpiperidine-4-carbonyl)-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCC(=O)N1CCC(C(=O)N2CC[C@@H](NC(=O)c3cc(C)on3)[C@H](O)C2)CC1
InChIInChI=1S/C18H26N4O5/c1-11-9-15(20-27-11)17(25)19-14-5-8-22(10-16(14)24)18(26)13-3-6-21(7-4-13)12(2)23/h9,13-14,16,24H,3-8,10H2,1-2H3,(H,19,25)/t14-,16-/m1/s1
InChIKeyFTLYZKNYJVFINF-GDBMZVCRSA-N
XLogP-0.07
TPSA115.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3R,4R)-1-(1-acetylpiperidine-4-carbonyl)-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47028354
N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 104957455
N-[(3R,4R)-3-hydroxy-1-(oxane-4-carbonyl)piperidin-4-yl]pyridine-2-carboxamide
CID 70721042
5-methyl-N-[(3S)-1-(pyrrolidine-1-carbonyl)azepan-3-yl]-1,2-oxazole-3-carboxamide
CID 96576211
5-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1,2-oxazole-3-carboxamide
CID 122556576
N-[(3S,4S)-1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 164633980
N-[(3R,4R)-1-[[2-(difluoromethoxy)phenyl]methyl]-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 118790819
trans-(1R,2R)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 97161364
(4-chloropiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 66155616
5-methyl-N-(4-methylcyclohexyl)-1,2-oxazole-3-carboxamide
CID 17173829
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129366335
[4-(1-bromoethyl)piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 106839138

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-(1-acetylpiperidine-4-carbonyl)-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3R,4R)-1-(1-acetylpiperidine-4-carbonyl)-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 118766414) is N-[(3R,4R)-1-(1-acetylpiperidine-4-carbonyl)-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3R,4R)-1-(1-acetylpiperidine-4-carbonyl)-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3R,4R)-1-(1-acetylpiperidine-4-carbonyl)-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide is CC(=O)N1CCC(C(=O)N2CC[C@@H](NC(=O)c3cc(C)on3)[C@H](O)C2)CC1.
What is the InChIKey of N-[(3R,4R)-1-(1-acetylpiperidine-4-carbonyl)-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is FTLYZKNYJVFINF-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H26N4O5/c1-11-9-15(20-27-11)17(25)19-14-5-8-22(10-16(14)24)18(26)13-3-6-21(7-4-13)12(2)23/h9,13-14,16,24H,3-8,10H2,1-2H3,(H,19,25)/t14-,16-/m1/s1.
What are the key properties of N-[(3R,4R)-1-(1-acetylpiperidine-4-carbonyl)-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[(3R,4R)-1-(1-acetylpiperidine-4-carbonyl)-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1-(1-acetylpiperidine-4-carbonyl)-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118766414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).