N-[[1-[(5S)-3,5-dimethyl-4H-1,2-oxazole-5-carbonyl]piperidin-4-yl]methyl]-3-pyridin-3-ylpropanamide

C20H28N4O3 — CID 164639172

IUPACN-[[1-[(5S)-3,5-dimethyl-4H-1,2-oxazole-5-carbonyl]piperidin-4-yl]methyl]-3-pyridin-3-ylpropanamide
SMILESCC1=NO[C@](C)(C(=O)N2CCC(CNC(=O)CCc3cccnc3)CC2)C1
InChIInChI=1S/C20H28N4O3/c1-15-12-20(2,27-23-15)19(26)24-10-7-17(8-11-24)14-22-18(25)6-5-16-4-3-9-21-13-16/h3-4,9,13,17H,5-8,10-12,14H2,1-2H3,(H,22,25)/t20-/m0/s1
InChIKeyLRULCSVOFXULMY-FQEVSTJZSA-N
MW372.47 g/mol
LogP1.92
Rot. Bonds6

About N-[[1-[(5S)-3,5-dimethyl-4H-1,2-oxazole-5-carbonyl]piperidin-4-yl]methyl]-3-pyridin-3-ylpropanamide

N-[[1-[(5S)-3,5-dimethyl-4H-1,2-oxazole-5-carbonyl]piperidin-4-yl]methyl]-3-pyridin-3-ylpropanamide (PubChem CID 164639172) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[[1-[(5S)-3,5-dimethyl-4H-1,2-oxazole-5-carbonyl]piperidin-4-yl]methyl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[[1-[(5S)-3,5-dimethyl-4H-1,2-oxazole-5-carbonyl]piperidin-4-yl]methyl]-3-pyridin-3-ylpropanamide
PubChem CID164639172
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-[[1-[(5S)-3,5-dimethyl-4H-1,2-oxazole-5-carbonyl]piperidin-4-yl]methyl]-3-pyridin-3-ylpropanamide
SMILESCC1=NO[C@](C)(C(=O)N2CCC(CNC(=O)CCc3cccnc3)CC2)C1
InChIInChI=1S/C20H28N4O3/c1-15-12-20(2,27-23-15)19(26)24-10-7-17(8-11-24)14-22-18(25)6-5-16-4-3-9-21-13-16/h3-4,9,13,17H,5-8,10-12,14H2,1-2H3,(H,22,25)/t20-/m0/s1
InChIKeyLRULCSVOFXULMY-FQEVSTJZSA-N
XLogP1.92
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-[(5S)-3,5-dimethyl-4H-1,2-oxazole-5-carbonyl]piperidin-4-yl]methyl]-3-pyridin-3-ylpropanamide with MolForge

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Related Compounds

N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-3-pyridin-3-ylpropanamide
CID 131942617
3-phenyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propanamide
CID 16895855
ethyl 4-(3-pyridin-3-ylpropanoylamino)piperidine-1-carboxylate
CID 31369357
3-(4-fluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 108924798
N,N-dimethyl-4-[(3-phenylpropanoylamino)methyl]piperidine-1-carboxamide
CID 119103247
3-methoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 108924717
[(3S)-1-ethyl-3-methylpiperidin-3-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 126435090
1-[4-(methylamino)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 175657779
ethyl 4-[acetyl-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]piperidine-1-carboxylate
CID 113122149
(3-hydroxy-3-methylcyclobutyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 170372559
1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 115276545
N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-3-pyridin-3-ylpropanamide
CID 77081879

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5S)-3,5-dimethyl-4H-1,2-oxazole-5-carbonyl]piperidin-4-yl]methyl]-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[[1-[(5S)-3,5-dimethyl-4H-1,2-oxazole-5-carbonyl]piperidin-4-yl]methyl]-3-pyridin-3-ylpropanamide (CID 164639172) is N-[[1-[(5S)-3,5-dimethyl-4H-1,2-oxazole-5-carbonyl]piperidin-4-yl]methyl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[[1-[(5S)-3,5-dimethyl-4H-1,2-oxazole-5-carbonyl]piperidin-4-yl]methyl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[[1-[(5S)-3,5-dimethyl-4H-1,2-oxazole-5-carbonyl]piperidin-4-yl]methyl]-3-pyridin-3-ylpropanamide is CC1=NO[C@](C)(C(=O)N2CCC(CNC(=O)CCc3cccnc3)CC2)C1.
What is the InChIKey of N-[[1-[(5S)-3,5-dimethyl-4H-1,2-oxazole-5-carbonyl]piperidin-4-yl]methyl]-3-pyridin-3-ylpropanamide?
The InChIKey is LRULCSVOFXULMY-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-15-12-20(2,27-23-15)19(26)24-10-7-17(8-11-24)14-22-18(25)6-5-16-4-3-9-21-13-16/h3-4,9,13,17H,5-8,10-12,14H2,1-2H3,(H,22,25)/t20-/m0/s1.
What are the key properties of N-[[1-[(5S)-3,5-dimethyl-4H-1,2-oxazole-5-carbonyl]piperidin-4-yl]methyl]-3-pyridin-3-ylpropanamide?
N-[[1-[(5S)-3,5-dimethyl-4H-1,2-oxazole-5-carbonyl]piperidin-4-yl]methyl]-3-pyridin-3-ylpropanamide has a molecular weight of 372.47 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5S)-3,5-dimethyl-4H-1,2-oxazole-5-carbonyl]piperidin-4-yl]methyl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 164639172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).