(3S)-1-[4-(3,5-dimethylphenyl)oxane-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide

C26H33N3O3 — CID 124950671

IUPAC(3S)-1-[4-(3,5-dimethylphenyl)oxane-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
SMILESCNC(=O)[C@@]1(c2ccccn2)CCCN(C(=O)C2(c3cc(C)cc(C)c3)CCOCC2)C1
InChIInChI=1S/C26H33N3O3/c1-19-15-20(2)17-21(16-19)25(9-13-32-14-10-25)24(31)29-12-6-8-26(18-29,23(30)27-3)22-7-4-5-11-28-22/h4-5,7,11,15-17H,6,8-10,12-14,18H2,1-3H3,(H,27,30)/t26-/m0/s1
InChIKeyDDGFIDSXHBSVJS-SANMLTNESA-N
MW435.57 g/mol
LogP3.05
Rot. Bonds4

About (3S)-1-[4-(3,5-dimethylphenyl)oxane-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide

(3S)-1-[4-(3,5-dimethylphenyl)oxane-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide (PubChem CID 124950671) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is (3S)-1-[4-(3,5-dimethylphenyl)oxane-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[4-(3,5-dimethylphenyl)oxane-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
PubChem CID124950671
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC Name(3S)-1-[4-(3,5-dimethylphenyl)oxane-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
SMILESCNC(=O)[C@@]1(c2ccccn2)CCCN(C(=O)C2(c3cc(C)cc(C)c3)CCOCC2)C1
InChIInChI=1S/C26H33N3O3/c1-19-15-20(2)17-21(16-19)25(9-13-32-14-10-25)24(31)29-12-6-8-26(18-29,23(30)27-3)22-7-4-5-11-28-22/h4-5,7,11,15-17H,6,8-10,12-14,18H2,1-3H3,(H,27,30)/t26-/m0/s1
InChIKeyDDGFIDSXHBSVJS-SANMLTNESA-N
XLogP3.05
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[4-(3,5-dimethylphenyl)oxane-4-carbonyl]-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124966660
1-[4-(3-fluorophenyl)oxane-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110148571
(3R)-1-(1-benzoyl-4-methylpiperidine-4-carbonyl)-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124999862
(3R)-1-[1-(4-methylphenyl)cyclohexanecarbonyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124953704
(3R)-N-methyl-3-pyridin-2-yl-1-[2-(pyrrolidin-1-ylmethyl)benzoyl]piperidine-3-carboxamide
CID 124979911
(3S)-1-[3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124986297
(3R)-1-[6-(1,4-dimethylpiperidin-4-yl)-2-methylpyrimidine-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 125004681
1-[3-[(2,6-dimethylpyrimidin-4-yl)amino]benzoyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110149427
1-[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110151987
(3R)-N-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 125008722
[3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-3-methylpiperidin-1-yl]-[4-(3,5-dimethylphenyl)oxan-4-yl]methanone
CID 110150454
1-[2-(3-methoxyanilino)pyridine-3-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110151518

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4-(3,5-dimethylphenyl)oxane-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-[4-(3,5-dimethylphenyl)oxane-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide (CID 124950671) is (3S)-1-[4-(3,5-dimethylphenyl)oxane-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[4-(3,5-dimethylphenyl)oxane-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[4-(3,5-dimethylphenyl)oxane-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide is CNC(=O)[C@@]1(c2ccccn2)CCCN(C(=O)C2(c3cc(C)cc(C)c3)CCOCC2)C1.
What is the InChIKey of (3S)-1-[4-(3,5-dimethylphenyl)oxane-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide?
The InChIKey is DDGFIDSXHBSVJS-SANMLTNESA-N. The full InChI is InChI=1S/C26H33N3O3/c1-19-15-20(2)17-21(16-19)25(9-13-32-14-10-25)24(31)29-12-6-8-26(18-29,23(30)27-3)22-7-4-5-11-28-22/h4-5,7,11,15-17H,6,8-10,12-14,18H2,1-3H3,(H,27,30)/t26-/m0/s1.
What are the key properties of (3S)-1-[4-(3,5-dimethylphenyl)oxane-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide?
(3S)-1-[4-(3,5-dimethylphenyl)oxane-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide has a molecular weight of 435.57 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[4-(3,5-dimethylphenyl)oxane-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 124950671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).