(2R)-2-(dimethylamino)-N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(2-methylphenyl)acetamide

C21H33N3O2 — CID 97278730

IUPAC(2R)-2-(dimethylamino)-N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1[C@H](C(=O)NC1CCN(C(=O)CC(C)C)CC1)N(C)C
InChIInChI=1S/C21H33N3O2/c1-15(2)14-19(25)24-12-10-17(11-13-24)22-21(26)20(23(4)5)18-9-7-6-8-16(18)3/h6-9,15,17,20H,10-14H2,1-5H3,(H,22,26)/t20-/m1/s1
InChIKeyXLGXBGRVCAYNBM-HXUWFJFHSA-N
MW359.51 g/mol
LogP2.75
Rot. Bonds6

About (2R)-2-(dimethylamino)-N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(2-methylphenyl)acetamide

(2R)-2-(dimethylamino)-N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(2-methylphenyl)acetamide (PubChem CID 97278730) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)-N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(2-methylphenyl)acetamide
PubChem CID97278730
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name(2R)-2-(dimethylamino)-N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1[C@H](C(=O)NC1CCN(C(=O)CC(C)C)CC1)N(C)C
InChIInChI=1S/C21H33N3O2/c1-15(2)14-19(25)24-12-10-17(11-13-24)22-21(26)20(23(4)5)18-9-7-6-8-16(18)3/h6-9,15,17,20H,10-14H2,1-5H3,(H,22,26)/t20-/m1/s1
InChIKeyXLGXBGRVCAYNBM-HXUWFJFHSA-N
XLogP2.75
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(dimethylamino)-2-(2-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 97284597
N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylbutanamide
CID 51093701
1-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylurea
CID 110638001
3-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 119755729
(2S)-2-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 119307382
N-methyl-N-[2-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 49492924
1-benzyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
CID 47085415
3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819611
ethyl 4-[[2-(dimethylamino)-2-phenylacetyl]amino]piperidine-1-carboxylate
CID 47840553
3-(2-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]propanamide
CID 110819642
3-(dimethylamino)-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819666
N,N-dimethyl-4-[1-(2-methylphenyl)ethylamino]piperidine-1-carboxamide
CID 83206943

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(2-methylphenyl)acetamide?
The IUPAC name of (2R)-2-(dimethylamino)-N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(2-methylphenyl)acetamide (CID 97278730) is (2R)-2-(dimethylamino)-N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for (2R)-2-(dimethylamino)-N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for (2R)-2-(dimethylamino)-N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(2-methylphenyl)acetamide is Cc1ccccc1[C@H](C(=O)NC1CCN(C(=O)CC(C)C)CC1)N(C)C.
What is the InChIKey of (2R)-2-(dimethylamino)-N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(2-methylphenyl)acetamide?
The InChIKey is XLGXBGRVCAYNBM-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-15(2)14-19(25)24-12-10-17(11-13-24)22-21(26)20(23(4)5)18-9-7-6-8-16(18)3/h6-9,15,17,20H,10-14H2,1-5H3,(H,22,26)/t20-/m1/s1.
What are the key properties of (2R)-2-(dimethylamino)-N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(2-methylphenyl)acetamide?
(2R)-2-(dimethylamino)-N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(2-methylphenyl)acetamide has a molecular weight of 359.51 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dimethylamino)-N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 97278730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).