5-[3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C20H20FN3O3 — CID 70731720

IUPAC5-[3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)cc1C(=O)N1CCCC(COc2ccc(F)cc2)C1
InChIInChI=1S/C20H20FN3O3/c1-13-18(9-15(10-22)19(25)23-13)20(26)24-8-2-3-14(11-24)12-27-17-6-4-16(21)5-7-17/h4-7,9,14H,2-3,8,11-12H2,1H3,(H,23,25)
InChIKeyCZXWGKBUIDNZKF-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.63
Rot. Bonds4

About 5-[3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

5-[3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 70731720) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is 5-[3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID70731720
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Name5-[3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)cc1C(=O)N1CCCC(COc2ccc(F)cc2)C1
InChIInChI=1S/C20H20FN3O3/c1-13-18(9-15(10-22)19(25)23-13)20(26)24-8-2-3-14(11-24)12-27-17-6-4-16(21)5-7-17/h4-7,9,14H,2-3,8,11-12H2,1H3,(H,23,25)
InChIKeyCZXWGKBUIDNZKF-UHFFFAOYSA-N
XLogP2.63
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-5-[3-[(3-methylphenoxy)methyl]piperidine-1-carbonyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 70782735
5-[(3S)-3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 95867474
[4-[[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 95097674
(2,6-dimethoxyphenyl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 110638674
[4-[[(3R)-1-(2,4-dimethylbenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 95097584
[(3S)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-[3-(hydroxymethyl)phenyl]methanone
CID 95885966
3-[3-(ethoxymethyl)piperidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one
CID 110610273
[3-[[1-(2-chloro-5-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 50846654
(6-amino-3-pyridinyl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 70772604
[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(4-hydroxycyclohexyl)methanone
CID 70738185
2,1,3-benzoxadiazol-5-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 70719761
N-cyclopropyl-4-[[(3R)-1-(2,4-difluorobenzoyl)piperidin-3-yl]methoxy]benzamide
CID 95097851

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-[3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 70731720) is 5-[3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-[3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-[3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1[nH]c(=O)c(C#N)cc1C(=O)N1CCCC(COc2ccc(F)cc2)C1.
What is the InChIKey of 5-[3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is CZXWGKBUIDNZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-13-18(9-15(10-22)19(25)23-13)20(26)24-8-2-3-14(11-24)12-27-17-6-4-16(21)5-7-17/h4-7,9,14H,2-3,8,11-12H2,1H3,(H,23,25).
What are the key properties of 5-[3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
5-[3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 369.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 70731720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).