(2S)-2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone

C22H29N3O2 — CID 97200726

IUPAC(2S)-2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
SMILESCc1ccccc1[C@@H](C(=O)N1CCC(OCc2cccnc2)CC1)N(C)C
InChIInChI=1S/C22H29N3O2/c1-17-7-4-5-9-20(17)21(24(2)3)22(26)25-13-10-19(11-14-25)27-16-18-8-6-12-23-15-18/h4-9,12,15,19,21H,10-11,13-14,16H2,1-3H3/t21-/m0/s1
InChIKeyNTMVEJVXMIKYGR-NRFANRHFSA-N
MW367.49 g/mol
LogP3.20
Rot. Bonds6

About (2S)-2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone

(2S)-2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone (PubChem CID 97200726) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
PubChem CID97200726
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name(2S)-2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
SMILESCc1ccccc1[C@@H](C(=O)N1CCC(OCc2cccnc2)CC1)N(C)C
InChIInChI=1S/C22H29N3O2/c1-17-7-4-5-9-20(17)21(24(2)3)22(26)25-13-10-19(11-14-25)27-16-18-8-6-12-23-15-18/h4-9,12,15,19,21H,10-11,13-14,16H2,1-3H3/t21-/m0/s1
InChIKeyNTMVEJVXMIKYGR-NRFANRHFSA-N
XLogP3.20
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone with MolForge

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Related Compounds

(2R)-2-(dimethylamino)-2-(2-methylphenyl)-1-(3-pyridin-3-ylazetidin-1-yl)ethanone
CID 97278574
[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 90649817
N-[(2S)-2-(dimethylamino)butyl]-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide
CID 125447753
1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 70721630
ethyl 4-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]piperazine-1-carboxylate
CID 97124771
2-(dimethylamino)-2-(4-methylphenyl)-1-(4-pyridin-3-yloxypiperidin-1-yl)ethanone
CID 72921497
(3-propan-2-yl-1,2-oxazol-5-yl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70738411
3,4-dihydro-2H-chromen-3-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70773170
(5-phenyl-1,2-oxazol-3-yl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70742097
(5-fluoro-2-methylphenyl)-[(3S)-3-(pyridin-3-ylmethoxy)pyrrolidin-1-yl]methanone
CID 96529742
(2R)-2-(dimethylamino)-2-(2-methylphenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone
CID 97192752
2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 72931057

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone?
The IUPAC name of (2S)-2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone (CID 97200726) is (2S)-2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone.
What is the SMILES notation for (2S)-2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone?
The canonical SMILES for (2S)-2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone is Cc1ccccc1[C@@H](C(=O)N1CCC(OCc2cccnc2)CC1)N(C)C.
What is the InChIKey of (2S)-2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone?
The InChIKey is NTMVEJVXMIKYGR-NRFANRHFSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-17-7-4-5-9-20(17)21(24(2)3)22(26)25-13-10-19(11-14-25)27-16-18-8-6-12-23-15-18/h4-9,12,15,19,21H,10-11,13-14,16H2,1-3H3/t21-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone?
(2S)-2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone has a molecular weight of 367.49 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone is sourced from PubChem (CID 97200726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).