N-cyclohexyl-N-[3-[1-(3-fluoro-2-pyridinyl)piperidin-3-yl]propyl]formamide

C20H30FN3O — CID 143229815

IUPACN-cyclohexyl-N-[3-[1-(3-fluoro-2-pyridinyl)piperidin-3-yl]propyl]formamide
SMILESO=CN(CCCC1CCCN(c2ncccc2F)C1)C1CCCCC1
InChIInChI=1S/C20H30FN3O/c21-19-11-4-12-22-20(19)23-13-5-7-17(15-23)8-6-14-24(16-25)18-9-2-1-3-10-18/h4,11-12,16-18H,1-3,5-10,13-15H2
InChIKeyZZJNLELQACHOIJ-UHFFFAOYSA-N
MW347.48 g/mol
LogP4.01
Rot. Bonds7

About N-cyclohexyl-N-[3-[1-(3-fluoro-2-pyridinyl)piperidin-3-yl]propyl]formamide

N-cyclohexyl-N-[3-[1-(3-fluoro-2-pyridinyl)piperidin-3-yl]propyl]formamide (PubChem CID 143229815) has the molecular formula C20H30FN3O and a molecular weight of 347.48 g/mol. Its IUPAC name is N-cyclohexyl-N-[3-[1-(3-fluoro-2-pyridinyl)piperidin-3-yl]propyl]formamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[3-[1-(3-fluoro-2-pyridinyl)piperidin-3-yl]propyl]formamide
PubChem CID143229815
Molecular FormulaC20H30FN3O
Molecular Weight347.48 g/mol
Exact Mass347.24
IUPAC NameN-cyclohexyl-N-[3-[1-(3-fluoro-2-pyridinyl)piperidin-3-yl]propyl]formamide
SMILESO=CN(CCCC1CCCN(c2ncccc2F)C1)C1CCCCC1
InChIInChI=1S/C20H30FN3O/c21-19-11-4-12-22-20(19)23-13-5-7-17(15-23)8-6-14-24(16-25)18-9-2-1-3-10-18/h4,11-12,16-18H,1-3,5-10,13-15H2
InChIKeyZZJNLELQACHOIJ-UHFFFAOYSA-N
XLogP4.01
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-N-[2-[1-(3-methyl-2-pyridinyl)piperidin-3-yl]ethyl]formamide;ethane
CID 143229407
N-cyclohexyl-N-[2-[1-[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide
CID 143229533
N-[3-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]propyl]-N-cyclohexylformamide
CID 143229447
N-[2-[1-(3-chloro-2-pyridinyl)piperidin-3-yl]ethyl]-N-(4-hydroxycyclohexyl)formamide
CID 143229783
[(3S)-1-(3-fluoro-2-pyridinyl)piperidin-3-yl]methanol
CID 94573932
N-[2-[1-(3-cyano-2-pyridinyl)piperidin-3-yl]ethyl]-N-(oxan-4-yl)formamide
CID 143229666
N-[3-[1-(2-fluoro-4-pyridin-3-yloxyphenyl)piperidin-3-yl]propyl]-N-(4-hydroxycyclohexyl)formamide
CID 143229435
N-cyclohexyl-N-[2-[1-(2,5-difluorophenyl)piperidin-3-yl]ethyl]formamide
CID 143229552
N-[4-[3-[3-[cyclohexyl(formyl)amino]propyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]acetamide
CID 143229391
N-cyclohexyl-N-[2-(1-quinolin-2-ylpiperidin-3-yl)ethyl]formamide;ethane
CID 143229721
2-[[1-(3-fluoro-2-pyridinyl)piperidin-3-yl]methoxy]pyrazine
CID 163354536
N-[3-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]propyl]-N-(oxan-4-yl)formamide
CID 143229551

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[3-[1-(3-fluoro-2-pyridinyl)piperidin-3-yl]propyl]formamide?
The IUPAC name of N-cyclohexyl-N-[3-[1-(3-fluoro-2-pyridinyl)piperidin-3-yl]propyl]formamide (CID 143229815) is N-cyclohexyl-N-[3-[1-(3-fluoro-2-pyridinyl)piperidin-3-yl]propyl]formamide.
What is the SMILES notation for N-cyclohexyl-N-[3-[1-(3-fluoro-2-pyridinyl)piperidin-3-yl]propyl]formamide?
The canonical SMILES for N-cyclohexyl-N-[3-[1-(3-fluoro-2-pyridinyl)piperidin-3-yl]propyl]formamide is O=CN(CCCC1CCCN(c2ncccc2F)C1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-[3-[1-(3-fluoro-2-pyridinyl)piperidin-3-yl]propyl]formamide?
The InChIKey is ZZJNLELQACHOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN3O/c21-19-11-4-12-22-20(19)23-13-5-7-17(15-23)8-6-14-24(16-25)18-9-2-1-3-10-18/h4,11-12,16-18H,1-3,5-10,13-15H2.
What are the key properties of N-cyclohexyl-N-[3-[1-(3-fluoro-2-pyridinyl)piperidin-3-yl]propyl]formamide?
N-cyclohexyl-N-[3-[1-(3-fluoro-2-pyridinyl)piperidin-3-yl]propyl]formamide has a molecular weight of 347.48 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[3-[1-(3-fluoro-2-pyridinyl)piperidin-3-yl]propyl]formamide is sourced from PubChem (CID 143229815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).