(3S)-1-(oxan-4-yl)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide

C18H24N6O3 — CID 97204559

IUPAC(3S)-1-(oxan-4-yl)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1nc(-c2ncccn2)no1)[C@H]1CCCN(C2CCOCC2)C1
InChIInChI=1S/C18H24N6O3/c25-18(13-3-1-8-24(12-13)14-4-9-26-10-5-14)21-11-15-22-17(23-27-15)16-19-6-2-7-20-16/h2,6-7,13-14H,1,3-5,8-12H2,(H,21,25)/t13-/m0/s1
InChIKeyUIDBHCFDMOPVFB-ZDUSSCGKSA-N
MW372.43 g/mol
LogP1.03
Rot. Bonds5

About (3S)-1-(oxan-4-yl)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide

(3S)-1-(oxan-4-yl)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 97204559) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is (3S)-1-(oxan-4-yl)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(oxan-4-yl)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
PubChem CID97204559
Molecular FormulaC18H24N6O3
Molecular Weight372.43 g/mol
Exact Mass372.19
IUPAC Name(3S)-1-(oxan-4-yl)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1nc(-c2ncccn2)no1)[C@H]1CCCN(C2CCOCC2)C1
InChIInChI=1S/C18H24N6O3/c25-18(13-3-1-8-24(12-13)14-4-9-26-10-5-14)21-11-15-22-17(23-27-15)16-19-6-2-7-20-16/h2,6-7,13-14H,1,3-5,8-12H2,(H,21,25)/t13-/m0/s1
InChIKeyUIDBHCFDMOPVFB-ZDUSSCGKSA-N
XLogP1.03
TPSA106.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(oxan-4-yl)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 72914125
(3S)-N-[(5-methylpyrazin-2-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide
CID 97193281
(3S)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)piperidine-3-carboxamide
CID 30153820
1-methylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 50945072
(3S)-1-[1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 96575804
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide
CID 72890644
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-(oxan-4-yl)piperidine-3-carboxamide
CID 118792594
(3S)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide
CID 97198838
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 43931605
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 43933300
(3S)-1-[1-[4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96582322
(3S)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 95119180

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(oxan-4-yl)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(oxan-4-yl)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide (CID 97204559) is (3S)-1-(oxan-4-yl)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(oxan-4-yl)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(oxan-4-yl)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide is O=C(NCc1nc(-c2ncccn2)no1)[C@H]1CCCN(C2CCOCC2)C1.
What is the InChIKey of (3S)-1-(oxan-4-yl)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The InChIKey is UIDBHCFDMOPVFB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24N6O3/c25-18(13-3-1-8-24(12-13)14-4-9-26-10-5-14)21-11-15-22-17(23-27-15)16-19-6-2-7-20-16/h2,6-7,13-14H,1,3-5,8-12H2,(H,21,25)/t13-/m0/s1.
What are the key properties of (3S)-1-(oxan-4-yl)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
(3S)-1-(oxan-4-yl)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(oxan-4-yl)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 97204559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).