N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide

C19H22FN3O3 — CID 86843995

IUPACN-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(NCc1ccc(Oc2cccnc2)c(F)c1)N1CCCC(CO)C1
InChIInChI=1S/C19H22FN3O3/c20-17-9-14(5-6-18(17)26-16-4-1-7-21-11-16)10-22-19(25)23-8-2-3-15(12-23)13-24/h1,4-7,9,11,15,24H,2-3,8,10,12-13H2,(H,22,25)
InChIKeyWOUIOBUSXDOZAM-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.93
Rot. Bonds5

About N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide

N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 86843995) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID86843995
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC NameN-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(NCc1ccc(Oc2cccnc2)c(F)c1)N1CCCC(CO)C1
InChIInChI=1S/C19H22FN3O3/c20-17-9-14(5-6-18(17)26-16-4-1-7-21-11-16)10-22-19(25)23-8-2-3-15(12-23)13-24/h1,4-7,9,11,15,24H,2-3,8,10,12-13H2,(H,22,25)
InChIKeyWOUIOBUSXDOZAM-UHFFFAOYSA-N
XLogP2.93
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-4-methylazepane-1-carboxamide
CID 97023620
3-[[(3-fluorophenyl)carbamoylamino]methyl]-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]piperidine-1-carboxamide
CID 155962923
3-(hydroxymethyl)-N-[(4-phenoxyphenyl)methyl]piperidine-1-carboxamide
CID 110922235
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119864556
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-2-pyridin-3-yloxyacetamide
CID 166189097
(3S)-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95597538
(3S)-1-cyclopropyl-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95192686
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]cyclopropanamine
CID 43283717
N'-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]oxamide
CID 166195405
2-[1-(pyridin-3-ylmethylcarbamoyl)piperidin-3-yl]acetic acid
CID 62691175
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 126772649
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119864547

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide (CID 86843995) is N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide is O=C(NCc1ccc(Oc2cccnc2)c(F)c1)N1CCCC(CO)C1.
What is the InChIKey of N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is WOUIOBUSXDOZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c20-17-9-14(5-6-18(17)26-16-4-1-7-21-11-16)10-22-19(25)23-8-2-3-15(12-23)13-24/h1,4-7,9,11,15,24H,2-3,8,10,12-13H2,(H,22,25).
What are the key properties of N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 359.40 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 86843995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).