[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-piperidin-3-ylmethanone

C19H28N2O2 — CID 119313293

IUPAC[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-piperidin-3-ylmethanone
SMILESCOc1ccc(CC2CCN(C(=O)C3CCCNC3)CC2)cc1
InChIInChI=1S/C19H28N2O2/c1-23-18-6-4-15(5-7-18)13-16-8-11-21(12-9-16)19(22)17-3-2-10-20-14-17/h4-7,16-17,20H,2-3,8-14H2,1H3
InChIKeyYZIZGIZCLLAMCY-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.48
Rot. Bonds4

About [4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-piperidin-3-ylmethanone

[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-piperidin-3-ylmethanone (PubChem CID 119313293) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is [4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-piperidin-3-ylmethanone.

Molecular Properties

Compound Name[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-piperidin-3-ylmethanone
PubChem CID119313293
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-piperidin-3-ylmethanone
SMILESCOc1ccc(CC2CCN(C(=O)C3CCCNC3)CC2)cc1
InChIInChI=1S/C19H28N2O2/c1-23-18-6-4-15(5-7-18)13-16-8-11-21(12-9-16)19(22)17-3-2-10-20-14-17/h4-7,16-17,20H,2-3,8-14H2,1H3
InChIKeyYZIZGIZCLLAMCY-UHFFFAOYSA-N
XLogP2.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-piperidin-3-ylmethanone with MolForge

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Related Compounds

[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119765874
[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119765866
1-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119765845
(4-ethylpiperidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81129798
3-(4-methoxyphenyl)-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119754727
[4-[(dimethylamino)methyl]piperidin-1-yl]-piperidin-3-ylmethanone
CID 54874476
3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981397
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110364752
[4-(3,5-dimethoxyanilino)piperidin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119898008
2-(4-methylphenyl)-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]ethanone
CID 119314469
[4-(4-fluorophenoxy)piperidin-1-yl]-piperidin-3-ylmethanone
CID 119308981
(1-hydroxycyclopentyl)-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone
CID 110912966

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-piperidin-3-ylmethanone?
The IUPAC name of [4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-piperidin-3-ylmethanone (CID 119313293) is [4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-piperidin-3-ylmethanone.
What is the SMILES notation for [4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-piperidin-3-ylmethanone?
The canonical SMILES for [4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-piperidin-3-ylmethanone is COc1ccc(CC2CCN(C(=O)C3CCCNC3)CC2)cc1.
What is the InChIKey of [4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-piperidin-3-ylmethanone?
The InChIKey is YZIZGIZCLLAMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-23-18-6-4-15(5-7-18)13-16-8-11-21(12-9-16)19(22)17-3-2-10-20-14-17/h4-7,16-17,20H,2-3,8-14H2,1H3.
What are the key properties of [4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-piperidin-3-ylmethanone?
[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-piperidin-3-ylmethanone has a molecular weight of 316.44 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-piperidin-3-ylmethanone is sourced from PubChem (CID 119313293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).