(2S)-N-(oxan-4-ylmethyl)-2-pyridin-2-ylpiperidine-1-carboxamide

C17H25N3O2 — CID 126442149

IUPAC(2S)-N-(oxan-4-ylmethyl)-2-pyridin-2-ylpiperidine-1-carboxamide
SMILESO=C(NCC1CCOCC1)N1CCCC[C@H]1c1ccccn1
InChIInChI=1S/C17H25N3O2/c21-17(19-13-14-7-11-22-12-8-14)20-10-4-2-6-16(20)15-5-1-3-9-18-15/h1,3,5,9,14,16H,2,4,6-8,10-13H2,(H,19,21)/t16-/m0/s1
InChIKeyOEIJUTNPQHRPFE-INIZCTEOSA-N
MW303.41 g/mol
LogP2.74
Rot. Bonds3

About (2S)-N-(oxan-4-ylmethyl)-2-pyridin-2-ylpiperidine-1-carboxamide

(2S)-N-(oxan-4-ylmethyl)-2-pyridin-2-ylpiperidine-1-carboxamide (PubChem CID 126442149) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (2S)-N-(oxan-4-ylmethyl)-2-pyridin-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(oxan-4-ylmethyl)-2-pyridin-2-ylpiperidine-1-carboxamide
PubChem CID126442149
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(2S)-N-(oxan-4-ylmethyl)-2-pyridin-2-ylpiperidine-1-carboxamide
SMILESO=C(NCC1CCOCC1)N1CCCC[C@H]1c1ccccn1
InChIInChI=1S/C17H25N3O2/c21-17(19-13-14-7-11-22-12-8-14)20-10-4-2-6-16(20)15-5-1-3-9-18-15/h1,3,5,9,14,16H,2,4,6-8,10-13H2,(H,19,21)/t16-/m0/s1
InChIKeyOEIJUTNPQHRPFE-INIZCTEOSA-N
XLogP2.74
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 47386252
3-[2-oxo-2-[(2R)-2-pyridin-2-ylpiperidin-1-yl]ethyl]-1,3-benzoxazol-2-one
CID 95862581
3-[2-oxo-2-(2-pyridin-2-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one
CID 70723414
(2R)-2-(1,3-benzothiazol-2-yl)-N-[[(3R)-oxolan-3-yl]methyl]pyrrolidine-1-carboxamide
CID 94124246
(5-ethoxyfuran-2-yl)-(2-pyridin-2-ylpiperidin-1-yl)methanone
CID 86285632
(5-ethoxyfuran-2-yl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 99976176
N-(oxan-4-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108912953
(4R)-5,5-dimethyl-4-[(2S)-2-pyridin-2-ylpiperidine-1-carbonyl]oxolan-2-one
CID 100819553
(2S)-N-[[(3S)-oxolan-3-yl]methyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 94124343
benzyl (2S)-2-pyridin-2-ylpyrrolidine-1-carboxylate
CID 14814122
2-(benzotriazol-2-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone
CID 77091255
(2S)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridin-2-ylpiperidine-1-carboxamide
CID 126444471

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(oxan-4-ylmethyl)-2-pyridin-2-ylpiperidine-1-carboxamide?
The IUPAC name of (2S)-N-(oxan-4-ylmethyl)-2-pyridin-2-ylpiperidine-1-carboxamide (CID 126442149) is (2S)-N-(oxan-4-ylmethyl)-2-pyridin-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(oxan-4-ylmethyl)-2-pyridin-2-ylpiperidine-1-carboxamide?
The canonical SMILES for (2S)-N-(oxan-4-ylmethyl)-2-pyridin-2-ylpiperidine-1-carboxamide is O=C(NCC1CCOCC1)N1CCCC[C@H]1c1ccccn1.
What is the InChIKey of (2S)-N-(oxan-4-ylmethyl)-2-pyridin-2-ylpiperidine-1-carboxamide?
The InChIKey is OEIJUTNPQHRPFE-INIZCTEOSA-N. The full InChI is InChI=1S/C17H25N3O2/c21-17(19-13-14-7-11-22-12-8-14)20-10-4-2-6-16(20)15-5-1-3-9-18-15/h1,3,5,9,14,16H,2,4,6-8,10-13H2,(H,19,21)/t16-/m0/s1.
What are the key properties of (2S)-N-(oxan-4-ylmethyl)-2-pyridin-2-ylpiperidine-1-carboxamide?
(2S)-N-(oxan-4-ylmethyl)-2-pyridin-2-ylpiperidine-1-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(oxan-4-ylmethyl)-2-pyridin-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 126442149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).