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

C21H24N2O2 — CID 119561443

IUPAC[2-[4-(methylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
SMILESCNC1CCN(C(=O)c2ccccc2C(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C21H24N2O2/c1-15-7-9-16(10-8-15)20(24)18-5-3-4-6-19(18)21(25)23-13-11-17(22-2)12-14-23/h3-10,17,22H,11-14H2,1-2H3
InChIKeyYZTZBGUBHDTSBG-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.05
Rot. Bonds4

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

[2-[4-(methylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone (PubChem CID 119561443) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is [2-[4-(methylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[2-[4-(methylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
PubChem CID119561443
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name[2-[4-(methylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
SMILESCNC1CCN(C(=O)c2ccccc2C(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C21H24N2O2/c1-15-7-9-16(10-8-15)20(24)18-5-3-4-6-19(18)21(25)23-13-11-17(22-2)12-14-23/h3-10,17,22H,11-14H2,1-2H3
InChIKeyYZTZBGUBHDTSBG-UHFFFAOYSA-N
XLogP3.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.05
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-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 119544374
(2-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728656
[4-(methylamino)piperidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride
CID 119563632
[3-(methylamino)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 81467156
ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone
CID 145194562
(2,3-dimethylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119560822
[2-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 112843502
(4-methylphenyl)-[2-(2-methylpiperidine-1-carbonyl)phenyl]methanone
CID 112811380
N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554659
[2-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 19325537
N-cyclopropyl-2-[4-[2-(3,4-dimethylbenzoyl)benzoyl]piperazin-1-yl]acetamide
CID 36936549

Frequently Asked Questions

What is the IUPAC name of [2-[4-(methylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone?
The IUPAC name of [2-[4-(methylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone (CID 119561443) is [2-[4-(methylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone.
What is the SMILES notation for [2-[4-(methylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone?
The canonical SMILES for [2-[4-(methylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone is CNC1CCN(C(=O)c2ccccc2C(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of [2-[4-(methylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone?
The InChIKey is YZTZBGUBHDTSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-15-7-9-16(10-8-15)20(24)18-5-3-4-6-19(18)21(25)23-13-11-17(22-2)12-14-23/h3-10,17,22H,11-14H2,1-2H3.
What are the key properties of [2-[4-(methylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone?
[2-[4-(methylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone has a molecular weight of 336.44 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(methylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone is sourced from PubChem (CID 119561443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).