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

C18H24N6O2 — CID 97200426

IUPAC(3S)-1-cyclopentyl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1nc(-c2ncccn2)no1)[C@H]1CCCN(C2CCCC2)C1
InChIInChI=1S/C18H24N6O2/c25-18(13-5-3-10-24(12-13)14-6-1-2-7-14)21-11-15-22-17(23-26-15)16-19-8-4-9-20-16/h4,8-9,13-14H,1-3,5-7,10-12H2,(H,21,25)/t13-/m0/s1
InChIKeyFKJMNGPVTCDMNE-ZDUSSCGKSA-N
MW356.43 g/mol
LogP1.80
Rot. Bonds5

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

(3S)-1-cyclopentyl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 97200426) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is (3S)-1-cyclopentyl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-cyclopentyl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
PubChem CID97200426
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name(3S)-1-cyclopentyl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1nc(-c2ncccn2)no1)[C@H]1CCCN(C2CCCC2)C1
InChIInChI=1S/C18H24N6O2/c25-18(13-5-3-10-24(12-13)14-6-1-2-7-14)21-11-15-22-17(23-26-15)16-19-8-4-9-20-16/h4,8-9,13-14H,1-3,5-7,10-12H2,(H,21,25)/t13-/m0/s1
InChIKeyFKJMNGPVTCDMNE-ZDUSSCGKSA-N
XLogP1.80
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclopentyl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-cyclopentyl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide (CID 97200426) is (3S)-1-cyclopentyl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-cyclopentyl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-cyclopentyl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide is O=C(NCc1nc(-c2ncccn2)no1)[C@H]1CCCN(C2CCCC2)C1.
What is the InChIKey of (3S)-1-cyclopentyl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The InChIKey is FKJMNGPVTCDMNE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24N6O2/c25-18(13-5-3-10-24(12-13)14-6-1-2-7-14)21-11-15-22-17(23-26-15)16-19-8-4-9-20-16/h4,8-9,13-14H,1-3,5-7,10-12H2,(H,21,25)/t13-/m0/s1.
What are the key properties of (3S)-1-cyclopentyl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
(3S)-1-cyclopentyl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclopentyl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 97200426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).