N-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]cyclohexanecarboxamide

C18H26FN3O2 — CID 124983310

IUPACN-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]cyclohexanecarboxamide
SMILESO=C(NC[C@@]1(O)CCCN(c2ccc(F)cn2)C1)C1CCCCC1
InChIInChI=1S/C18H26FN3O2/c19-15-7-8-16(20-11-15)22-10-4-9-18(24,13-22)12-21-17(23)14-5-2-1-3-6-14/h7-8,11,14,24H,1-6,9-10,12-13H2,(H,21,23)/t18-/m0/s1
InChIKeyNCVURSLUGPRCHE-SFHVURJKSA-N
MW335.42 g/mol
LogP2.25
Rot. Bonds4

About N-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]cyclohexanecarboxamide

N-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]cyclohexanecarboxamide (PubChem CID 124983310) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is N-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]cyclohexanecarboxamide
PubChem CID124983310
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC NameN-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]cyclohexanecarboxamide
SMILESO=C(NC[C@@]1(O)CCCN(c2ccc(F)cn2)C1)C1CCCCC1
InChIInChI=1S/C18H26FN3O2/c19-15-7-8-16(20-11-15)22-10-4-9-18(24,13-22)12-21-17(23)14-5-2-1-3-6-14/h7-8,11,14,24H,1-6,9-10,12-13H2,(H,21,23)/t18-/m0/s1
InChIKeyNCVURSLUGPRCHE-SFHVURJKSA-N
XLogP2.25
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-5-methylpyrazine-2-carboxamide
CID 124991641
N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 110124157
1-ethyl-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]pyrazole-4-carboxamide
CID 124999832
5-ethyl-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 125010520
1-(5-fluoro-2-pyridinyl)-3-(methylaminomethyl)pyrrolidin-3-ol
CID 175660744
N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-3-(2-methylbenzimidazol-1-yl)propanamide
CID 155989847
N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N,6-dimethylpyridine-3-carboxamide
CID 110124139
N-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]methanesulfonamide
CID 125024514
4-(1-ethylbenzimidazol-2-yl)-N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]butanamide
CID 155989842
3-(6-chloro-1H-benzimidazol-2-yl)-N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]propanamide
CID 155989841
N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 110124285
N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methylpyrazine-2-carboxamide
CID 124972905

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]cyclohexanecarboxamide (CID 124983310) is N-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]cyclohexanecarboxamide is O=C(NC[C@@]1(O)CCCN(c2ccc(F)cn2)C1)C1CCCCC1.
What is the InChIKey of N-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]cyclohexanecarboxamide?
The InChIKey is NCVURSLUGPRCHE-SFHVURJKSA-N. The full InChI is InChI=1S/C18H26FN3O2/c19-15-7-8-16(20-11-15)22-10-4-9-18(24,13-22)12-21-17(23)14-5-2-1-3-6-14/h7-8,11,14,24H,1-6,9-10,12-13H2,(H,21,23)/t18-/m0/s1.
What are the key properties of N-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]cyclohexanecarboxamide?
N-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]cyclohexanecarboxamide has a molecular weight of 335.42 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 124983310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).