(2-methylphenyl)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone

C19H28N2O — CID 70253538

IUPAC(2-methylphenyl)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone
SMILESCc1ccccc1C(=O)N1CCC(N2CCC(C)CC2)CC1
InChIInChI=1S/C19H28N2O/c1-15-7-11-20(12-8-15)17-9-13-21(14-10-17)19(22)18-6-4-3-5-16(18)2/h3-6,15,17H,7-14H2,1-2H3
InChIKeyOWFWCJBSSKBXMX-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.33
Rot. Bonds2

About (2-methylphenyl)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone

(2-methylphenyl)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone (PubChem CID 70253538) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is (2-methylphenyl)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylphenyl)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone
PubChem CID70253538
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name(2-methylphenyl)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone
SMILESCc1ccccc1C(=O)N1CCC(N2CCC(C)CC2)CC1
InChIInChI=1S/C19H28N2O/c1-15-7-11-20(12-8-15)17-9-13-21(14-10-17)19(22)18-6-4-3-5-16(18)2/h3-6,15,17H,7-14H2,1-2H3
InChIKeyOWFWCJBSSKBXMX-UHFFFAOYSA-N
XLogP3.33
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methylphenyl)-[4-[(3R)-3-methylpiperazin-1-yl]piperidin-1-yl]methanone
CID 12967155
2-[1-(2-methylbenzoyl)piperidin-4-yl]isoindole-1,3-dione
CID 113082504
(2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 110472085
(4-aminopiperidin-1-yl)-(2-methylphenyl)methanone;hydrochloride
CID 119372796
1-[1-(2-methylbenzoyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 42693604
[(2S)-1-(2-methylbenzoyl)pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 110285877
(2,6-dimethylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 142823511
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
[1-(2-methylbenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 70845735
[4-(1-hydroxypropyl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 112537576
[4-(1-hydroxycyclopropyl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 138382236
2-methyl-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 1066450

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-methylphenyl)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone (CID 70253538) is (2-methylphenyl)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methylphenyl)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methylphenyl)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone is Cc1ccccc1C(=O)N1CCC(N2CCC(C)CC2)CC1.
What is the InChIKey of (2-methylphenyl)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone?
The InChIKey is OWFWCJBSSKBXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-15-7-11-20(12-8-15)17-9-13-21(14-10-17)19(22)18-6-4-3-5-16(18)2/h3-6,15,17H,7-14H2,1-2H3.
What are the key properties of (2-methylphenyl)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone?
(2-methylphenyl)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone has a molecular weight of 300.45 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 70253538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).