2-(dimethylamino)-2-(3-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone

C21H31N3O3 — CID 72849565

IUPAC2-(dimethylamino)-2-(3-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
SMILESCc1cccc(C(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)N(C)C)c1
InChIInChI=1S/C21H31N3O3/c1-16-5-4-6-18(15-16)19(22(2)3)21(26)23-9-7-17(8-10-23)20(25)24-11-13-27-14-12-24/h4-6,15,17,19H,7-14H2,1-3H3
InChIKeyRSEGUYLRCUMEGU-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.70
Rot. Bonds4

About 2-(dimethylamino)-2-(3-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone

2-(dimethylamino)-2-(3-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone (PubChem CID 72849565) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(3-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-2-(3-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
PubChem CID72849565
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name2-(dimethylamino)-2-(3-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
SMILESCc1cccc(C(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)N(C)C)c1
InChIInChI=1S/C21H31N3O3/c1-16-5-4-6-18(15-16)19(22(2)3)21(26)23-9-7-17(8-10-23)20(25)24-11-13-27-14-12-24/h4-6,15,17,19H,7-14H2,1-3H3
InChIKeyRSEGUYLRCUMEGU-UHFFFAOYSA-N
XLogP1.70
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(dimethylamino)-2-(3-methylphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 97153883
2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone
CID 72869087
4-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-carboxamide
CID 97116910
2-amino-2-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 120666722
[1-[(3-methylphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 25249252
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 97125402
[4-(3-methylphenyl)piperazin-1-yl]-[4-(morpholine-4-carbonyl)cyclohexyl]methanone
CID 109146784
3-amino-2-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 119687542
(2R)-2-(dimethylamino)-2-(3-methylphenyl)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
CID 97193821
4-[1-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
CID 136822759
2-(dimethylamino)-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 72881733
4-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpentan-1-one
CID 110620002

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(3-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-2-(3-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone (CID 72849565) is 2-(dimethylamino)-2-(3-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-2-(3-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-2-(3-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone is Cc1cccc(C(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)N(C)C)c1.
What is the InChIKey of 2-(dimethylamino)-2-(3-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is RSEGUYLRCUMEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-16-5-4-6-18(15-16)19(22(2)3)21(26)23-9-7-17(8-10-23)20(25)24-11-13-27-14-12-24/h4-6,15,17,19H,7-14H2,1-3H3.
What are the key properties of 2-(dimethylamino)-2-(3-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone?
2-(dimethylamino)-2-(3-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 373.50 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(3-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 72849565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).