(4-methoxypiperidin-1-yl)-(3-methyl-5-piperidin-4-ylphenyl)methanone

C19H28N2O2 — CID 165436191

IUPAC(4-methoxypiperidin-1-yl)-(3-methyl-5-piperidin-4-ylphenyl)methanone
SMILESCOC1CCN(C(=O)c2cc(C)cc(C3CCNCC3)c2)CC1
InChIInChI=1S/C19H28N2O2/c1-14-11-16(15-3-7-20-8-4-15)13-17(12-14)19(22)21-9-5-18(23-2)6-10-21/h11-13,15,18,20H,3-10H2,1-2H3
InChIKeyLAUDODLHESNICX-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.71
Rot. Bonds3

About (4-methoxypiperidin-1-yl)-(3-methyl-5-piperidin-4-ylphenyl)methanone

(4-methoxypiperidin-1-yl)-(3-methyl-5-piperidin-4-ylphenyl)methanone (PubChem CID 165436191) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is (4-methoxypiperidin-1-yl)-(3-methyl-5-piperidin-4-ylphenyl)methanone.

Molecular Properties

Compound Name(4-methoxypiperidin-1-yl)-(3-methyl-5-piperidin-4-ylphenyl)methanone
PubChem CID165436191
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name(4-methoxypiperidin-1-yl)-(3-methyl-5-piperidin-4-ylphenyl)methanone
SMILESCOC1CCN(C(=O)c2cc(C)cc(C3CCNCC3)c2)CC1
InChIInChI=1S/C19H28N2O2/c1-14-11-16(15-3-7-20-8-4-15)13-17(12-14)19(22)21-9-5-18(23-2)6-10-21/h11-13,15,18,20H,3-10H2,1-2H3
InChIKeyLAUDODLHESNICX-UHFFFAOYSA-N
XLogP2.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4,4-difluoropiperidin-1-yl)-(3-methyl-5-piperidin-4-ylphenyl)methanone
CID 165436193
3-methyl-5-piperidin-4-ylbenzamide;hydrochloride
CID 165436136
(3,5-dihydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 113355600
3-(4-methoxypiperidine-1-carbonyl)-5-methylbenzenesulfonyl chloride
CID 65372090
(4-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 63189041
(4-methoxypiperidin-1-yl)-(5-methyl-6-piperazin-1-yl-3-pyridinyl)methanone
CID 141343812
3-methyl-N-(1-methylpiperidin-4-yl)-5-piperidin-4-ylbenzamide
CID 165436175
(4-methoxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110725274
(3,5-dimethylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120994448
(4-bromo-3-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 112705709
(3-amino-4-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43372645
N-cyclohexyl-3-methyl-5-piperidin-4-ylbenzamide;hydrochloride
CID 165436170

Frequently Asked Questions

What is the IUPAC name of (4-methoxypiperidin-1-yl)-(3-methyl-5-piperidin-4-ylphenyl)methanone?
The IUPAC name of (4-methoxypiperidin-1-yl)-(3-methyl-5-piperidin-4-ylphenyl)methanone (CID 165436191) is (4-methoxypiperidin-1-yl)-(3-methyl-5-piperidin-4-ylphenyl)methanone.
What is the SMILES notation for (4-methoxypiperidin-1-yl)-(3-methyl-5-piperidin-4-ylphenyl)methanone?
The canonical SMILES for (4-methoxypiperidin-1-yl)-(3-methyl-5-piperidin-4-ylphenyl)methanone is COC1CCN(C(=O)c2cc(C)cc(C3CCNCC3)c2)CC1.
What is the InChIKey of (4-methoxypiperidin-1-yl)-(3-methyl-5-piperidin-4-ylphenyl)methanone?
The InChIKey is LAUDODLHESNICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-14-11-16(15-3-7-20-8-4-15)13-17(12-14)19(22)21-9-5-18(23-2)6-10-21/h11-13,15,18,20H,3-10H2,1-2H3.
What are the key properties of (4-methoxypiperidin-1-yl)-(3-methyl-5-piperidin-4-ylphenyl)methanone?
(4-methoxypiperidin-1-yl)-(3-methyl-5-piperidin-4-ylphenyl)methanone has a molecular weight of 316.44 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxypiperidin-1-yl)-(3-methyl-5-piperidin-4-ylphenyl)methanone is sourced from PubChem (CID 165436191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).