N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide

C19H25FN4O2 — CID 172892798

IUPACN-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide
SMILESCN(C(=O)N1CCOCC1)C1CCCN(Cc2ccc(C#N)cc2F)C1
InChIInChI=1S/C19H25FN4O2/c1-22(19(25)24-7-9-26-10-8-24)17-3-2-6-23(14-17)13-16-5-4-15(12-21)11-18(16)20/h4-5,11,17H,2-3,6-10,13-14H2,1H3
InChIKeyKAJLOJNRAARDIT-UHFFFAOYSA-N
MW360.43 g/mol
LogP2.05
Rot. Bonds3

About N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide

N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide (PubChem CID 172892798) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide
PubChem CID172892798
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC NameN-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide
SMILESCN(C(=O)N1CCOCC1)C1CCCN(Cc2ccc(C#N)cc2F)C1
InChIInChI=1S/C19H25FN4O2/c1-22(19(25)24-7-9-26-10-8-24)17-3-2-6-23(14-17)13-16-5-4-15(12-21)11-18(16)20/h4-5,11,17H,2-3,6-10,13-14H2,1H3
InChIKeyKAJLOJNRAARDIT-UHFFFAOYSA-N
XLogP2.05
TPSA59.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide
CID 163346469
N-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-3-yl]morpholine-4-carboxamide
CID 172891906
3-fluoro-4-[[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]methyl]benzonitrile
CID 94064168
3-fluoro-4-[[2-(piperidine-1-carbonyl)morpholin-4-yl]methyl]benzonitrile
CID 146078095
N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]cyclobutanecarboxamide
CID 163357727
4-[(4-acetylpiperazin-1-yl)methyl]-3-fluorobenzonitrile
CID 24698831
4-(azepan-1-ylmethyl)-3-fluorobenzonitrile
CID 24711476
4-[(4-amino-3-methylpiperidin-1-yl)methyl]-3-fluorobenzonitrile
CID 79867580
4-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-N,1-N,4-N-trimethylpiperidine-1,4-dicarboxamide
CID 42300426
methyl 2-[4-[(4-cyano-2-fluorophenyl)methyl]morpholin-2-yl]acetate
CID 79827334
4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile
CID 51323129
2-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 56813394

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide?
The IUPAC name of N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide (CID 172892798) is N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide.
What is the SMILES notation for N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide?
The canonical SMILES for N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide is CN(C(=O)N1CCOCC1)C1CCCN(Cc2ccc(C#N)cc2F)C1.
What is the InChIKey of N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide?
The InChIKey is KAJLOJNRAARDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-22(19(25)24-7-9-26-10-8-24)17-3-2-6-23(14-17)13-16-5-4-15(12-21)11-18(16)20/h4-5,11,17H,2-3,6-10,13-14H2,1H3.
What are the key properties of N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide?
N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide has a molecular weight of 360.43 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide is sourced from PubChem (CID 172892798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).