N-[4-(3,5-difluorophenoxy)cyclohexyl]-1-pyridin-2-ylpiperidine-3-carboxamide

C23H27F2N3O2 — CID 175643881

IUPACN-[4-(3,5-difluorophenoxy)cyclohexyl]-1-pyridin-2-ylpiperidine-3-carboxamide
SMILESO=C(NC1CCC(Oc2cc(F)cc(F)c2)CC1)C1CCCN(c2ccccn2)C1
InChIInChI=1S/C23H27F2N3O2/c24-17-12-18(25)14-21(13-17)30-20-8-6-19(7-9-20)27-23(29)16-4-3-11-28(15-16)22-5-1-2-10-26-22/h1-2,5,10,12-14,16,19-20H,3-4,6-9,11,15H2,(H,27,29)
InChIKeyZLXPDIDDUIDHHU-UHFFFAOYSA-N
MW415.48 g/mol
LogP4.08
Rot. Bonds5

About N-[4-(3,5-difluorophenoxy)cyclohexyl]-1-pyridin-2-ylpiperidine-3-carboxamide

N-[4-(3,5-difluorophenoxy)cyclohexyl]-1-pyridin-2-ylpiperidine-3-carboxamide (PubChem CID 175643881) has the molecular formula C23H27F2N3O2 and a molecular weight of 415.48 g/mol. Its IUPAC name is N-[4-(3,5-difluorophenoxy)cyclohexyl]-1-pyridin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3,5-difluorophenoxy)cyclohexyl]-1-pyridin-2-ylpiperidine-3-carboxamide
PubChem CID175643881
Molecular FormulaC23H27F2N3O2
Molecular Weight415.48 g/mol
Exact Mass415.21
IUPAC NameN-[4-(3,5-difluorophenoxy)cyclohexyl]-1-pyridin-2-ylpiperidine-3-carboxamide
SMILESO=C(NC1CCC(Oc2cc(F)cc(F)c2)CC1)C1CCCN(c2ccccn2)C1
InChIInChI=1S/C23H27F2N3O2/c24-17-12-18(25)14-21(13-17)30-20-8-6-19(7-9-20)27-23(29)16-4-3-11-28(15-16)22-5-1-2-10-26-22/h1-2,5,10,12-14,16,19-20H,3-4,6-9,11,15H2,(H,27,29)
InChIKeyZLXPDIDDUIDHHU-UHFFFAOYSA-N
XLogP4.08
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(1-ethylpiperidin-4-yl)-1-pyridin-2-ylpiperidine-3-carboxamide
CID 94824323
N-methyl-1-pyridin-2-ylpiperidine-3-carboxamide
CID 133270598
(3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 6557829
(3R)-N-(3,5-dimethylphenyl)-1-pyridin-2-ylpiperidine-3-carboxamide
CID 51962224
methyl (3S)-1-pyridin-2-ylpiperidine-3-carboxylate
CID 133326705
1-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)piperidine-3-carboxamide
CID 165431316
N-cyclopropyl-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 49431443
(3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452540
(3S)-1-[5-(2-fluorophenyl)-2-pyridinyl]-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide
CID 58585901
N-cyclobutyl-1-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 110269436
N-cycloheptyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 53071425
(3S)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide
CID 124839677

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-difluorophenoxy)cyclohexyl]-1-pyridin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-[4-(3,5-difluorophenoxy)cyclohexyl]-1-pyridin-2-ylpiperidine-3-carboxamide (CID 175643881) is N-[4-(3,5-difluorophenoxy)cyclohexyl]-1-pyridin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[4-(3,5-difluorophenoxy)cyclohexyl]-1-pyridin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[4-(3,5-difluorophenoxy)cyclohexyl]-1-pyridin-2-ylpiperidine-3-carboxamide is O=C(NC1CCC(Oc2cc(F)cc(F)c2)CC1)C1CCCN(c2ccccn2)C1.
What is the InChIKey of N-[4-(3,5-difluorophenoxy)cyclohexyl]-1-pyridin-2-ylpiperidine-3-carboxamide?
The InChIKey is ZLXPDIDDUIDHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N3O2/c24-17-12-18(25)14-21(13-17)30-20-8-6-19(7-9-20)27-23(29)16-4-3-11-28(15-16)22-5-1-2-10-26-22/h1-2,5,10,12-14,16,19-20H,3-4,6-9,11,15H2,(H,27,29).
What are the key properties of N-[4-(3,5-difluorophenoxy)cyclohexyl]-1-pyridin-2-ylpiperidine-3-carboxamide?
N-[4-(3,5-difluorophenoxy)cyclohexyl]-1-pyridin-2-ylpiperidine-3-carboxamide has a molecular weight of 415.48 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-difluorophenoxy)cyclohexyl]-1-pyridin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 175643881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).