(3S)-N-[8-(difluoromethoxy)quinolin-5-yl]-3-hydroxypiperidine-1-carboxamide

C16H17F2N3O3 — CID 95665624

IUPAC(3S)-N-[8-(difluoromethoxy)quinolin-5-yl]-3-hydroxypiperidine-1-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)c2ncccc12)N1CCC[C@H](O)C1
InChIInChI=1S/C16H17F2N3O3/c17-15(18)24-13-6-5-12(11-4-1-7-19-14(11)13)20-16(23)21-8-2-3-10(22)9-21/h1,4-7,10,15,22H,2-3,8-9H2,(H,20,23)/t10-/m0/s1
InChIKeyPSOVVORPQNTPDD-JTQLQIEISA-N
MW337.33 g/mol
LogP2.82
Rot. Bonds3

About (3S)-N-[8-(difluoromethoxy)quinolin-5-yl]-3-hydroxypiperidine-1-carboxamide

(3S)-N-[8-(difluoromethoxy)quinolin-5-yl]-3-hydroxypiperidine-1-carboxamide (PubChem CID 95665624) has the molecular formula C16H17F2N3O3 and a molecular weight of 337.33 g/mol. Its IUPAC name is (3S)-N-[8-(difluoromethoxy)quinolin-5-yl]-3-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[8-(difluoromethoxy)quinolin-5-yl]-3-hydroxypiperidine-1-carboxamide
PubChem CID95665624
Molecular FormulaC16H17F2N3O3
Molecular Weight337.33 g/mol
Exact Mass337.12
IUPAC Name(3S)-N-[8-(difluoromethoxy)quinolin-5-yl]-3-hydroxypiperidine-1-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)c2ncccc12)N1CCC[C@H](O)C1
InChIInChI=1S/C16H17F2N3O3/c17-15(18)24-13-6-5-12(11-4-1-7-19-14(11)13)20-16(23)21-8-2-3-10(22)9-21/h1,4-7,10,15,22H,2-3,8-9H2,(H,20,23)/t10-/m0/s1
InChIKeyPSOVVORPQNTPDD-JTQLQIEISA-N
XLogP2.82
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-N-[8-(difluoromethoxy)quinolin-5-yl]-3-hydroxypiperidine-1-carboxamide with MolForge

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Related Compounds

(3aS,6aR)-2-[[8-(difluoromethoxy)quinolin-5-yl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122077432
(2R)-N-[5-(difluoromethoxy)quinolin-8-yl]-2-methylmorpholine-4-carboxamide
CID 129399292
(2S)-N-[5-(difluoromethoxy)quinolin-8-yl]-2-methylmorpholine-4-carboxamide
CID 129399293
N-[8-(difluoromethoxy)quinolin-5-yl]-2-[(2R)-oxolan-2-yl]acetamide
CID 99842569
N-[8-(difluoromethoxy)quinolin-5-yl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 55965595
N-[2-(difluoromethoxy)-6-methylphenyl]-3-hydroxypiperidine-1-carboxamide
CID 111111727
(3R)-N-[2,4-bis(difluoromethoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 124615460
N-[8-(difluoromethoxy)quinolin-5-yl]-2-(2-oxoazepan-1-yl)acetamide
CID 71888385
3-[8-(difluoromethoxy)quinolin-5-yl]-1,1-diethylurea
CID 60554221
N-[8-(difluoromethoxy)quinolin-5-yl]-2-hydroxy-2-phenylacetamide
CID 111537177
1-[(8-methoxyquinolin-5-yl)carbamoyl]piperidine-4-carboxylic acid
CID 122078081
N-[[2-(difluoromethoxy)phenyl]methyl]-3-hydroxypiperidine-1-carboxamide
CID 110895568

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[8-(difluoromethoxy)quinolin-5-yl]-3-hydroxypiperidine-1-carboxamide?
The IUPAC name of (3S)-N-[8-(difluoromethoxy)quinolin-5-yl]-3-hydroxypiperidine-1-carboxamide (CID 95665624) is (3S)-N-[8-(difluoromethoxy)quinolin-5-yl]-3-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[8-(difluoromethoxy)quinolin-5-yl]-3-hydroxypiperidine-1-carboxamide?
The canonical SMILES for (3S)-N-[8-(difluoromethoxy)quinolin-5-yl]-3-hydroxypiperidine-1-carboxamide is O=C(Nc1ccc(OC(F)F)c2ncccc12)N1CCC[C@H](O)C1.
What is the InChIKey of (3S)-N-[8-(difluoromethoxy)quinolin-5-yl]-3-hydroxypiperidine-1-carboxamide?
The InChIKey is PSOVVORPQNTPDD-JTQLQIEISA-N. The full InChI is InChI=1S/C16H17F2N3O3/c17-15(18)24-13-6-5-12(11-4-1-7-19-14(11)13)20-16(23)21-8-2-3-10(22)9-21/h1,4-7,10,15,22H,2-3,8-9H2,(H,20,23)/t10-/m0/s1.
What are the key properties of (3S)-N-[8-(difluoromethoxy)quinolin-5-yl]-3-hydroxypiperidine-1-carboxamide?
(3S)-N-[8-(difluoromethoxy)quinolin-5-yl]-3-hydroxypiperidine-1-carboxamide has a molecular weight of 337.33 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[8-(difluoromethoxy)quinolin-5-yl]-3-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 95665624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).