[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone

C22H26N2O2 — CID 119544374

IUPAC[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
SMILESCNCC1CCN(C(=O)c2ccccc2C(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C22H26N2O2/c1-16-7-9-18(10-8-16)21(25)19-5-3-4-6-20(19)22(26)24-13-11-17(12-14-24)15-23-2/h3-10,17,23H,11-15H2,1-2H3
InChIKeyFKSUDFWFQICPJZ-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.30
Rot. Bonds5

About [2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone

[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone (PubChem CID 119544374) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is [2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
PubChem CID119544374
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
SMILESCNCC1CCN(C(=O)c2ccccc2C(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C22H26N2O2/c1-16-7-9-18(10-8-16)21(25)19-5-3-4-6-20(19)22(26)24-13-11-17(12-14-24)15-23-2/h3-10,17,23H,11-15H2,1-2H3
InChIKeyFKSUDFWFQICPJZ-UHFFFAOYSA-N
XLogP3.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone;hydrochloride
CID 119623132
[2-[4-(methylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 119561443
(2-methoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248507
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
(2-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119544013
(2-hydroxy-3-methylphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248844
(4-fluorophenyl)-[2-[(3S)-3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanone
CID 124687008
N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119545134
[4-(methylaminomethyl)piperidin-1-yl]-(3-methylphenyl)methanone;hydrochloride
CID 119545466
1-[4-(methylaminomethyl)piperidin-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 119544944
(4-hydroxy-2-methylphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 107672010
[4-(methylaminomethyl)piperidin-1-yl]-(2-phenylsulfanylphenyl)methanone
CID 119546478

Frequently Asked Questions

What is the IUPAC name of [2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone?
The IUPAC name of [2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone (CID 119544374) is [2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone.
What is the SMILES notation for [2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone?
The canonical SMILES for [2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone is CNCC1CCN(C(=O)c2ccccc2C(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of [2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone?
The InChIKey is FKSUDFWFQICPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-16-7-9-18(10-8-16)21(25)19-5-3-4-6-20(19)22(26)24-13-11-17(12-14-24)15-23-2/h3-10,17,23H,11-15H2,1-2H3.
What are the key properties of [2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone?
[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone has a molecular weight of 350.46 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone is sourced from PubChem (CID 119544374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).