(2-methylphenyl)-[4-[(3R)-3-methylpiperazin-1-yl]piperidin-1-yl]methanone

C18H27N3O — CID 12967155

IUPAC(2-methylphenyl)-[4-[(3R)-3-methylpiperazin-1-yl]piperidin-1-yl]methanone
SMILESCc1ccccc1C(=O)N1CCC(N2CCN[C@H](C)C2)CC1
InChIInChI=1S/C18H27N3O/c1-14-5-3-4-6-17(14)18(22)20-10-7-16(8-11-20)21-12-9-19-15(2)13-21/h3-6,15-16,19H,7-13H2,1-2H3/t15-/m1/s1
InChIKeyBAWFTGZBFUCIJE-OAHLLOKOSA-N
MW301.43 g/mol
LogP1.89
Rot. Bonds2

About (2-methylphenyl)-[4-[(3R)-3-methylpiperazin-1-yl]piperidin-1-yl]methanone

(2-methylphenyl)-[4-[(3R)-3-methylpiperazin-1-yl]piperidin-1-yl]methanone (PubChem CID 12967155) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is (2-methylphenyl)-[4-[(3R)-3-methylpiperazin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylphenyl)-[4-[(3R)-3-methylpiperazin-1-yl]piperidin-1-yl]methanone
PubChem CID12967155
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name(2-methylphenyl)-[4-[(3R)-3-methylpiperazin-1-yl]piperidin-1-yl]methanone
SMILESCc1ccccc1C(=O)N1CCC(N2CCN[C@H](C)C2)CC1
InChIInChI=1S/C18H27N3O/c1-14-5-3-4-6-17(14)18(22)20-10-7-16(8-11-20)21-12-9-19-15(2)13-21/h3-6,15-16,19H,7-13H2,1-2H3/t15-/m1/s1
InChIKeyBAWFTGZBFUCIJE-OAHLLOKOSA-N
XLogP1.89
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylphenyl)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone
CID 70253538
(3-methyl-1,4-diazepan-1-yl)-(2-methylphenyl)methanone
CID 82242995
(2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 110472085
2-[1-(2-methylbenzoyl)piperidin-4-yl]isoindole-1,3-dione
CID 113082504
(4-aminopiperidin-1-yl)-(2-methylphenyl)methanone;hydrochloride
CID 119372796
[4-(1-hydroxycyclopropyl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 138382236
(2-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427998
(2-fluorophenyl)-(5-methyl-1,4-diazepan-1-yl)methanone
CID 82243413
(4-deuteriopiperazin-1-yl)-(2-methylphenyl)methanone
CID 175795423
[3-(dimethylamino)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 110472052
1-[1-(2-methylbenzoyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 42693604
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-[4-[(3R)-3-methylpiperazin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-methylphenyl)-[4-[(3R)-3-methylpiperazin-1-yl]piperidin-1-yl]methanone (CID 12967155) is (2-methylphenyl)-[4-[(3R)-3-methylpiperazin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-methylphenyl)-[4-[(3R)-3-methylpiperazin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-methylphenyl)-[4-[(3R)-3-methylpiperazin-1-yl]piperidin-1-yl]methanone is Cc1ccccc1C(=O)N1CCC(N2CCN[C@H](C)C2)CC1.
What is the InChIKey of (2-methylphenyl)-[4-[(3R)-3-methylpiperazin-1-yl]piperidin-1-yl]methanone?
The InChIKey is BAWFTGZBFUCIJE-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H27N3O/c1-14-5-3-4-6-17(14)18(22)20-10-7-16(8-11-20)21-12-9-19-15(2)13-21/h3-6,15-16,19H,7-13H2,1-2H3/t15-/m1/s1.
What are the key properties of (2-methylphenyl)-[4-[(3R)-3-methylpiperazin-1-yl]piperidin-1-yl]methanone?
(2-methylphenyl)-[4-[(3R)-3-methylpiperazin-1-yl]piperidin-1-yl]methanone has a molecular weight of 301.43 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-[4-[(3R)-3-methylpiperazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 12967155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).