1-(2-amino-2-oxoethyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide

C18H23N5O3 — CID 131902477

IUPAC1-(2-amino-2-oxoethyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCN(Cc1cc(-c2ccncc2)no1)C(=O)C1CCCN(CC(N)=O)C1
InChIInChI=1S/C18H23N5O3/c1-22(18(25)14-3-2-8-23(10-14)12-17(19)24)11-15-9-16(21-26-15)13-4-6-20-7-5-13/h4-7,9,14H,2-3,8,10-12H2,1H3,(H2,19,24)
InChIKeyNXDNPLAFPWHYFW-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.89
Rot. Bonds6

About 1-(2-amino-2-oxoethyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide

1-(2-amino-2-oxoethyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 131902477) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
PubChem CID131902477
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name1-(2-amino-2-oxoethyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCN(Cc1cc(-c2ccncc2)no1)C(=O)C1CCCN(CC(N)=O)C1
InChIInChI=1S/C18H23N5O3/c1-22(18(25)14-3-2-8-23(10-14)12-17(19)24)11-15-9-16(21-26-15)13-4-6-20-7-5-13/h4-7,9,14H,2-3,8,10-12H2,1H3,(H2,19,24)
InChIKeyNXDNPLAFPWHYFW-UHFFFAOYSA-N
XLogP0.89
TPSA105.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2-amino-2-oxoethyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide
CID 124756945
1-(2-amino-2-oxoethyl)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methylpiperidine-3-carboxamide
CID 131922182
[1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 135119352
1-(2-amino-2-oxoethyl)-N-methyl-N-[(3-methylsulfanylphenyl)methyl]piperidine-3-carboxamide
CID 131890414
N-methyl-2-(oxan-3-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide
CID 131952470
N-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 45237275
1-(2-amino-2-oxoethyl)-N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide
CID 131897483
1-[2-[methyl-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 72940275
1-N,1-N,3-N-trimethyl-3-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,3-dicarboxamide
CID 72842603
1-methyl-3-(2-methylbutyl)-1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]urea
CID 119060814
1-methyl-3-[(2R)-2-methylbutyl]-1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]urea
CID 126427845
methyl (2S)-2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]carbamoyl]piperidine-1-carboxylate
CID 97188414

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(2-amino-2-oxoethyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide (CID 131902477) is 1-(2-amino-2-oxoethyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide is CN(Cc1cc(-c2ccncc2)no1)C(=O)C1CCCN(CC(N)=O)C1.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide?
The InChIKey is NXDNPLAFPWHYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-22(18(25)14-3-2-8-23(10-14)12-17(19)24)11-15-9-16(21-26-15)13-4-6-20-7-5-13/h4-7,9,14H,2-3,8,10-12H2,1H3,(H2,19,24).
What are the key properties of 1-(2-amino-2-oxoethyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide?
1-(2-amino-2-oxoethyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 131902477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).