N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]cyclobutanecarboxamide

C18H22FN3O — CID 163357727

IUPACN-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]cyclobutanecarboxamide
SMILESN#Cc1ccc(CN2CCC(NC(=O)C3CCC3)CC2)c(F)c1
InChIInChI=1S/C18H22FN3O/c19-17-10-13(11-20)4-5-15(17)12-22-8-6-16(7-9-22)21-18(23)14-2-1-3-14/h4-5,10,14,16H,1-3,6-9,12H2,(H,21,23)
InChIKeyKRYHVJPVNUJUSR-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.58
Rot. Bonds4

About N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]cyclobutanecarboxamide

N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]cyclobutanecarboxamide (PubChem CID 163357727) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]cyclobutanecarboxamide
PubChem CID163357727
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC NameN-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]cyclobutanecarboxamide
SMILESN#Cc1ccc(CN2CCC(NC(=O)C3CCC3)CC2)c(F)c1
InChIInChI=1S/C18H22FN3O/c19-17-10-13(11-20)4-5-15(17)12-22-8-6-16(7-9-22)21-18(23)14-2-1-3-14/h4-5,10,14,16H,1-3,6-9,12H2,(H,21,23)
InChIKeyKRYHVJPVNUJUSR-UHFFFAOYSA-N
XLogP2.58
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-4-yl]cyclopropanecarboxamide
CID 46444939
4-(azepan-1-ylmethyl)-3-fluorobenzonitrile
CID 24711476
2-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 56813394
3-fluoro-4-[[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]methyl]benzonitrile
CID 94064168
4-[(4-acetylpiperazin-1-yl)methyl]-3-fluorobenzonitrile
CID 24698831
2-[4-[(4-cyano-2-fluorophenyl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 62823448
methyl 1-[(5-cyano-2-fluorophenyl)methyl]piperidine-4-carboxylate
CID 24702391
1-[(4-cyano-2-fluorophenyl)methyl]-3-cyclohexylurea
CID 63359347
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
4-[(2-acetylpiperidin-1-yl)methyl]-3-fluorobenzonitrile
CID 55259106
N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide
CID 172892798
4-[[4-(cyanomethyl)piperazin-1-yl]methyl]-3-fluorobenzonitrile
CID 63336896

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]cyclobutanecarboxamide?
The IUPAC name of N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]cyclobutanecarboxamide (CID 163357727) is N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]cyclobutanecarboxamide is N#Cc1ccc(CN2CCC(NC(=O)C3CCC3)CC2)c(F)c1.
What is the InChIKey of N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]cyclobutanecarboxamide?
The InChIKey is KRYHVJPVNUJUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c19-17-10-13(11-20)4-5-15(17)12-22-8-6-16(7-9-22)21-18(23)14-2-1-3-14/h4-5,10,14,16H,1-3,6-9,12H2,(H,21,23).
What are the key properties of N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]cyclobutanecarboxamide?
N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]cyclobutanecarboxamide has a molecular weight of 315.39 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]cyclobutanecarboxamide is sourced from PubChem (CID 163357727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).