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

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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).