4-cyano-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]piperidine-1-carboxamide

C18H23FN4O2 — CID 48958028

IUPAC4-cyano-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]piperidine-1-carboxamide
SMILESN#CC1CCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1
InChIInChI=1S/C18H23FN4O2/c19-16-11-15(1-2-17(16)22-7-9-25-10-8-22)13-21-18(24)23-5-3-14(12-20)4-6-23/h1-2,11,14H,3-10,13H2,(H,21,24)
InChIKeyCLNBSLFFKWTAAD-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.11
Rot. Bonds3

About 4-cyano-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]piperidine-1-carboxamide

4-cyano-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]piperidine-1-carboxamide (PubChem CID 48958028) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is 4-cyano-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]piperidine-1-carboxamide
PubChem CID48958028
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name4-cyano-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]piperidine-1-carboxamide
SMILESN#CC1CCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1
InChIInChI=1S/C18H23FN4O2/c19-16-11-15(1-2-17(16)22-7-9-25-10-8-22)13-21-18(24)23-5-3-14(12-20)4-6-23/h1-2,11,14H,3-10,13H2,(H,21,24)
InChIKeyCLNBSLFFKWTAAD-UHFFFAOYSA-N
XLogP2.11
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide
CID 94616637
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboxamide
CID 60551160
methyl 1-[N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111253707
trans-(1R,2R)-2-amino-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 124700252
trans-(1S,2S)-2-amino-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 124698857
N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-4-phenyl-1,4-diazepane-1-carboxamide
CID 91641732
4-acetyl-2-[(3-fluoro-4-morpholin-4-ylphenyl)methylamino]benzonitrile
CID 133456496
N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-N'-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109442496
4-cyano-N-[[4-(diethylamino)phenyl]methyl]piperidine-1-carboxamide
CID 48957963
1-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine
CID 111232301
1-[(5-chloro-2-morpholin-4-ylphenyl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 122013124
N-tert-butyl-2-[[N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111385428

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-cyano-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]piperidine-1-carboxamide (CID 48958028) is 4-cyano-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-cyano-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-cyano-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]piperidine-1-carboxamide is N#CC1CCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1.
What is the InChIKey of 4-cyano-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]piperidine-1-carboxamide?
The InChIKey is CLNBSLFFKWTAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c19-16-11-15(1-2-17(16)22-7-9-25-10-8-22)13-21-18(24)23-5-3-14(12-20)4-6-23/h1-2,11,14H,3-10,13H2,(H,21,24).
What are the key properties of 4-cyano-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]piperidine-1-carboxamide?
4-cyano-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]piperidine-1-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 48958028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).