N-[3-(pyridin-2-ylmethoxy)phenyl]piperidine-2-carboxamide

C18H21N3O2 — CID 119846086

IUPACN-[3-(pyridin-2-ylmethoxy)phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1cccc(OCc2ccccn2)c1)C1CCCCN1
InChIInChI=1S/C18H21N3O2/c22-18(17-9-2-4-11-20-17)21-14-7-5-8-16(12-14)23-13-15-6-1-3-10-19-15/h1,3,5-8,10,12,17,20H,2,4,9,11,13H2,(H,21,22)
InChIKeyXQIMMEDSXOVYQJ-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.74
Rot. Bonds5

About N-[3-(pyridin-2-ylmethoxy)phenyl]piperidine-2-carboxamide

N-[3-(pyridin-2-ylmethoxy)phenyl]piperidine-2-carboxamide (PubChem CID 119846086) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[3-(pyridin-2-ylmethoxy)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(pyridin-2-ylmethoxy)phenyl]piperidine-2-carboxamide
PubChem CID119846086
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-[3-(pyridin-2-ylmethoxy)phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1cccc(OCc2ccccn2)c1)C1CCCCN1
InChIInChI=1S/C18H21N3O2/c22-18(17-9-2-4-11-20-17)21-14-7-5-8-16(12-14)23-13-15-6-1-3-10-19-15/h1,3,5-8,10,12,17,20H,2,4,9,11,13H2,(H,21,22)
InChIKeyXQIMMEDSXOVYQJ-UHFFFAOYSA-N
XLogP2.74
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119872092
N-[3-(2-fluoroethoxy)phenyl]piperidine-2-carboxamide
CID 119337980
N-[3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide
CID 60927108
(2S)-N-(3-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 61179058
2-cyclohexyl-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide
CID 38671683
(2R)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide
CID 103809015
2-[3-(pyrrolidine-2-carbonylamino)phenoxy]acetic acid
CID 55243432
2-[3-[[(2S)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid
CID 55243430
(2R)-N-(3-methoxyphenyl)azepane-2-carboxamide
CID 124509646
N-[3-(pyridin-2-ylmethoxy)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 47045194
N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide;hydrochloride
CID 119284224
N-[3-(2-methylsulfonylethoxy)phenyl]piperidine-2-carboxamide
CID 119312153

Frequently Asked Questions

What is the IUPAC name of N-[3-(pyridin-2-ylmethoxy)phenyl]piperidine-2-carboxamide?
The IUPAC name of N-[3-(pyridin-2-ylmethoxy)phenyl]piperidine-2-carboxamide (CID 119846086) is N-[3-(pyridin-2-ylmethoxy)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[3-(pyridin-2-ylmethoxy)phenyl]piperidine-2-carboxamide?
The canonical SMILES for N-[3-(pyridin-2-ylmethoxy)phenyl]piperidine-2-carboxamide is O=C(Nc1cccc(OCc2ccccn2)c1)C1CCCCN1.
What is the InChIKey of N-[3-(pyridin-2-ylmethoxy)phenyl]piperidine-2-carboxamide?
The InChIKey is XQIMMEDSXOVYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-18(17-9-2-4-11-20-17)21-14-7-5-8-16(12-14)23-13-15-6-1-3-10-19-15/h1,3,5-8,10,12,17,20H,2,4,9,11,13H2,(H,21,22).
What are the key properties of N-[3-(pyridin-2-ylmethoxy)phenyl]piperidine-2-carboxamide?
N-[3-(pyridin-2-ylmethoxy)phenyl]piperidine-2-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pyridin-2-ylmethoxy)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 119846086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).