2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-N-(3-methoxyphenyl)butanamide

C24H37N3O3 — CID 20973241

IUPAC2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-N-(3-methoxyphenyl)butanamide
SMILESCCC(C(=O)Nc1cccc(OC)c1)N1CCC(C(=O)N2CC(C)CC(C)C2)CC1
InChIInChI=1S/C24H37N3O3/c1-5-22(23(28)25-20-7-6-8-21(14-20)30-4)26-11-9-19(10-12-26)24(29)27-15-17(2)13-18(3)16-27/h6-8,14,17-19,22H,5,9-13,15-16H2,1-4H3,(H,25,28)
InChIKeySOYKFOSHRMINEH-UHFFFAOYSA-N
MW415.58 g/mol
LogP3.63
Rot. Bonds6

About 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-N-(3-methoxyphenyl)butanamide

2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-N-(3-methoxyphenyl)butanamide (PubChem CID 20973241) has the molecular formula C24H37N3O3 and a molecular weight of 415.58 g/mol. Its IUPAC name is 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-N-(3-methoxyphenyl)butanamide.

Molecular Properties

Compound Name2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-N-(3-methoxyphenyl)butanamide
PubChem CID20973241
Molecular FormulaC24H37N3O3
Molecular Weight415.58 g/mol
Exact Mass415.28
IUPAC Name2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-N-(3-methoxyphenyl)butanamide
SMILESCCC(C(=O)Nc1cccc(OC)c1)N1CCC(C(=O)N2CC(C)CC(C)C2)CC1
InChIInChI=1S/C24H37N3O3/c1-5-22(23(28)25-20-7-6-8-21(14-20)30-4)26-11-9-19(10-12-26)24(29)27-15-17(2)13-18(3)16-27/h6-8,14,17-19,22H,5,9-13,15-16H2,1-4H3,(H,25,28)
InChIKeySOYKFOSHRMINEH-UHFFFAOYSA-N
XLogP3.63
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 8741714
1-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-N-phenylpiperidine-4-carboxamide
CID 41183176
4-(4-ethylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)cyclohexane-1-carboxamide
CID 109147563
[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9198366
[3-(3-methoxyphenoxy)azetidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 72893956
2-bromo-N-(3-methoxyphenyl)butanamide
CID 50742538
(3S)-1-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 9304789
3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide
CID 25453412
3-hydroxy-N-(3-methoxyphenyl)-4-methylpiperidine-1-carboxamide
CID 103896298
(2S)-2-[(1S)-1-hydroxypropyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 95980216
(3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63362733
N-[3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]acetamide
CID 2495335

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-N-(3-methoxyphenyl)butanamide?
The IUPAC name of 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-N-(3-methoxyphenyl)butanamide (CID 20973241) is 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-N-(3-methoxyphenyl)butanamide.
What is the SMILES notation for 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-N-(3-methoxyphenyl)butanamide?
The canonical SMILES for 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-N-(3-methoxyphenyl)butanamide is CCC(C(=O)Nc1cccc(OC)c1)N1CCC(C(=O)N2CC(C)CC(C)C2)CC1.
What is the InChIKey of 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-N-(3-methoxyphenyl)butanamide?
The InChIKey is SOYKFOSHRMINEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O3/c1-5-22(23(28)25-20-7-6-8-21(14-20)30-4)26-11-9-19(10-12-26)24(29)27-15-17(2)13-18(3)16-27/h6-8,14,17-19,22H,5,9-13,15-16H2,1-4H3,(H,25,28).
What are the key properties of 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-N-(3-methoxyphenyl)butanamide?
2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-N-(3-methoxyphenyl)butanamide has a molecular weight of 415.58 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-N-(3-methoxyphenyl)butanamide is sourced from PubChem (CID 20973241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).