2-[[(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-ethylamino]-N-(4-methoxyphenyl)acetamide

C21H33N3O3 — CID 11935742

IUPAC2-[[(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-ethylamino]-N-(4-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(OC)cc1)[C@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C21H33N3O3/c1-6-23(14-20(25)22-18-10-12-19(27-5)13-11-18)17(4)21(26)24-15(2)8-7-9-16(24)3/h10-13,15-17H,6-9,14H2,1-5H3,(H,22,25)/t15-,16+,17-/m1/s1
InChIKeyFPKGTBVCQCTNLW-IXDOHACOSA-N
MW375.51 g/mol
LogP3.13
Rot. Bonds7

About 2-[[(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-ethylamino]-N-(4-methoxyphenyl)acetamide

2-[[(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-ethylamino]-N-(4-methoxyphenyl)acetamide (PubChem CID 11935742) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is 2-[[(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-ethylamino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-ethylamino]-N-(4-methoxyphenyl)acetamide
PubChem CID11935742
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC Name2-[[(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-ethylamino]-N-(4-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(OC)cc1)[C@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C21H33N3O3/c1-6-23(14-20(25)22-18-10-12-19(27-5)13-11-18)17(4)21(26)24-15(2)8-7-9-16(24)3/h10-13,15-17H,6-9,14H2,1-5H3,(H,22,25)/t15-,16+,17-/m1/s1
InChIKeyFPKGTBVCQCTNLW-IXDOHACOSA-N
XLogP3.13
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium
CID 11935738
2-[[(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9366251
2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)propanamide
CID 18078718
(2S)-N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide
CID 37425693
(2R)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-naphthalen-2-ylpropanamide
CID 9027057
N-(3,4-diethoxyphenyl)-2-[[(2S)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]acetamide
CID 11937853
2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(3-fluoro-4-methylphenyl)propanamide
CID 18094701
2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 78817860
2-[cyclohexyl(2-hydroxypropyl)amino]-N-(4-methoxyphenyl)acetamide
CID 110923589
N-(4-acetamidophenyl)-2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]acetamide
CID 51225610
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-cyclopentylpropanamide
CID 51171045
2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)propanamide
CID 18094706

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-ethylamino]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[[(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-ethylamino]-N-(4-methoxyphenyl)acetamide (CID 11935742) is 2-[[(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-ethylamino]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-ethylamino]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-ethylamino]-N-(4-methoxyphenyl)acetamide is CCN(CC(=O)Nc1ccc(OC)cc1)[C@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C.
What is the InChIKey of 2-[[(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-ethylamino]-N-(4-methoxyphenyl)acetamide?
The InChIKey is FPKGTBVCQCTNLW-IXDOHACOSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-6-23(14-20(25)22-18-10-12-19(27-5)13-11-18)17(4)21(26)24-15(2)8-7-9-16(24)3/h10-13,15-17H,6-9,14H2,1-5H3,(H,22,25)/t15-,16+,17-/m1/s1.
What are the key properties of 2-[[(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-ethylamino]-N-(4-methoxyphenyl)acetamide?
2-[[(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-ethylamino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 375.51 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-ethylamino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 11935742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).