(3S)-N-(5-methyl-2-pyridinyl)-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxamide

C16H20N4O2 — CID 96567281

IUPAC(3S)-N-(5-methyl-2-pyridinyl)-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CCCN(Cc3ccno3)C2)nc1
InChIInChI=1S/C16H20N4O2/c1-12-4-5-15(17-9-12)19-16(21)13-3-2-8-20(10-13)11-14-6-7-18-22-14/h4-7,9,13H,2-3,8,10-11H2,1H3,(H,17,19,21)/t13-/m0/s1
InChIKeyXRZYADYVAOHAFJ-ZDUSSCGKSA-N
MW300.36 g/mol
LogP2.23
Rot. Bonds4

About (3S)-N-(5-methyl-2-pyridinyl)-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxamide

(3S)-N-(5-methyl-2-pyridinyl)-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxamide (PubChem CID 96567281) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (3S)-N-(5-methyl-2-pyridinyl)-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(5-methyl-2-pyridinyl)-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxamide
PubChem CID96567281
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(3S)-N-(5-methyl-2-pyridinyl)-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CCCN(Cc3ccno3)C2)nc1
InChIInChI=1S/C16H20N4O2/c1-12-4-5-15(17-9-12)19-16(21)13-3-2-8-20(10-13)11-14-6-7-18-22-14/h4-7,9,13H,2-3,8,10-11H2,1H3,(H,17,19,21)/t13-/m0/s1
InChIKeyXRZYADYVAOHAFJ-ZDUSSCGKSA-N
XLogP2.23
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (3S)-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxylate
CID 79046872
1-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 87013245
(3R)-N-(5-bromo-2-pyridinyl)-1-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 95761585
1-benzyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 60565468
(3R)-1-(4-bromophenyl)sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 26028129
(3R)-N-(5-chloro-2-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95282049
methyl 2-[[3-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]methyl]furan-3-carboxylate
CID 55816186
4-[[3-[(5-methyl-2-pyridinyl)carbamoyl]piperidine-1-carbonyl]amino]butanoic acid
CID 122021540
(3S)-1-(6-fluoroquinoline-8-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 97252606
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 47048690
1-[2-(3-fluorophenoxy)acetyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55808746
3-N-(5-methyl-2-pyridinyl)-1-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
CID 51122140

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(5-methyl-2-pyridinyl)-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(5-methyl-2-pyridinyl)-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxamide (CID 96567281) is (3S)-N-(5-methyl-2-pyridinyl)-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(5-methyl-2-pyridinyl)-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(5-methyl-2-pyridinyl)-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxamide is Cc1ccc(NC(=O)[C@H]2CCCN(Cc3ccno3)C2)nc1.
What is the InChIKey of (3S)-N-(5-methyl-2-pyridinyl)-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxamide?
The InChIKey is XRZYADYVAOHAFJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12-4-5-15(17-9-12)19-16(21)13-3-2-8-20(10-13)11-14-6-7-18-22-14/h4-7,9,13H,2-3,8,10-11H2,1H3,(H,17,19,21)/t13-/m0/s1.
What are the key properties of (3S)-N-(5-methyl-2-pyridinyl)-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxamide?
(3S)-N-(5-methyl-2-pyridinyl)-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(5-methyl-2-pyridinyl)-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 96567281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).