(3,5-dimethylpiperidin-1-yl)-[4-(4-methylphenyl)oxan-4-yl]methanone

C20H29NO2 — CID 75537654

IUPAC(3,5-dimethylpiperidin-1-yl)-[4-(4-methylphenyl)oxan-4-yl]methanone
SMILESCc1ccc(C2(C(=O)N3CC(C)CC(C)C3)CCOCC2)cc1
InChIInChI=1S/C20H29NO2/c1-15-4-6-18(7-5-15)20(8-10-23-11-9-20)19(22)21-13-16(2)12-17(3)14-21/h4-7,16-17H,8-14H2,1-3H3
InChIKeyADKJAAWBQNUIPV-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.55
Rot. Bonds2

About (3,5-dimethylpiperidin-1-yl)-[4-(4-methylphenyl)oxan-4-yl]methanone

(3,5-dimethylpiperidin-1-yl)-[4-(4-methylphenyl)oxan-4-yl]methanone (PubChem CID 75537654) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-[4-(4-methylphenyl)oxan-4-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-[4-(4-methylphenyl)oxan-4-yl]methanone
PubChem CID75537654
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Name(3,5-dimethylpiperidin-1-yl)-[4-(4-methylphenyl)oxan-4-yl]methanone
SMILESCc1ccc(C2(C(=O)N3CC(C)CC(C)C3)CCOCC2)cc1
InChIInChI=1S/C20H29NO2/c1-15-4-6-18(7-5-15)20(8-10-23-11-9-20)19(22)21-13-16(2)12-17(3)14-21/h4-7,16-17H,8-14H2,1-3H3
InChIKeyADKJAAWBQNUIPV-UHFFFAOYSA-N
XLogP3.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-methylphenyl)morpholin-4-yl]-(4-phenyloxan-4-yl)methanone
CID 121134836
[4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(4-methylphenyl)oxan-4-yl]methanone
CID 119623001
(3aS,7aS)-2-[4-(4-methylphenyl)oxane-4-carbonyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120626890
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[4-(4-methylphenyl)oxan-4-yl]methanone;hydrochloride
CID 120745672
[4-(4-fluorophenyl)oxan-4-yl]-(3-methylpiperazin-1-yl)methanone
CID 119576546
N-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]-4-(4-methylphenyl)oxane-4-carboxamide
CID 100681752
[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-(4-chlorophenyl)oxan-4-yl]methanone
CID 126810716
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[4-(4-fluorophenyl)oxan-4-yl]methanone
CID 71921143
[4-(2,4-dimethylphenyl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 53369928
cis-(1R,3S)-3-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677486
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 71927745
[1-(4-methylphenyl)cyclobutyl]-piperidin-1-ylmethanone
CID 146883856

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-[4-(4-methylphenyl)oxan-4-yl]methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-[4-(4-methylphenyl)oxan-4-yl]methanone (CID 75537654) is (3,5-dimethylpiperidin-1-yl)-[4-(4-methylphenyl)oxan-4-yl]methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-[4-(4-methylphenyl)oxan-4-yl]methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-[4-(4-methylphenyl)oxan-4-yl]methanone is Cc1ccc(C2(C(=O)N3CC(C)CC(C)C3)CCOCC2)cc1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-[4-(4-methylphenyl)oxan-4-yl]methanone?
The InChIKey is ADKJAAWBQNUIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2/c1-15-4-6-18(7-5-15)20(8-10-23-11-9-20)19(22)21-13-16(2)12-17(3)14-21/h4-7,16-17H,8-14H2,1-3H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-[4-(4-methylphenyl)oxan-4-yl]methanone?
(3,5-dimethylpiperidin-1-yl)-[4-(4-methylphenyl)oxan-4-yl]methanone has a molecular weight of 315.46 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-[4-(4-methylphenyl)oxan-4-yl]methanone is sourced from PubChem (CID 75537654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).