2-(3,4-diethoxyphenyl)-N-[(3S)-2,2-dimethyl-6-oxopiperidin-3-yl]-2-methylpropanamide

C21H32N2O4 — CID 164639565

IUPAC2-(3,4-diethoxyphenyl)-N-[(3S)-2,2-dimethyl-6-oxopiperidin-3-yl]-2-methylpropanamide
SMILESCCOc1ccc(C(C)(C)C(=O)N[C@H]2CCC(=O)NC2(C)C)cc1OCC
InChIInChI=1S/C21H32N2O4/c1-7-26-15-10-9-14(13-16(15)27-8-2)20(3,4)19(25)22-17-11-12-18(24)23-21(17,5)6/h9-10,13,17H,7-8,11-12H2,1-6H3,(H,22,25)(H,23,24)/t17-/m0/s1
InChIKeyIDPXPAAYWJGYLQ-KRWDZBQOSA-N
MW376.50 g/mol
LogP2.93
Rot. Bonds7

About 2-(3,4-diethoxyphenyl)-N-[(3S)-2,2-dimethyl-6-oxopiperidin-3-yl]-2-methylpropanamide

2-(3,4-diethoxyphenyl)-N-[(3S)-2,2-dimethyl-6-oxopiperidin-3-yl]-2-methylpropanamide (PubChem CID 164639565) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-(3,4-diethoxyphenyl)-N-[(3S)-2,2-dimethyl-6-oxopiperidin-3-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(3,4-diethoxyphenyl)-N-[(3S)-2,2-dimethyl-6-oxopiperidin-3-yl]-2-methylpropanamide
PubChem CID164639565
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Name2-(3,4-diethoxyphenyl)-N-[(3S)-2,2-dimethyl-6-oxopiperidin-3-yl]-2-methylpropanamide
SMILESCCOc1ccc(C(C)(C)C(=O)N[C@H]2CCC(=O)NC2(C)C)cc1OCC
InChIInChI=1S/C21H32N2O4/c1-7-26-15-10-9-14(13-16(15)27-8-2)20(3,4)19(25)22-17-11-12-18(24)23-21(17,5)6/h9-10,13,17H,7-8,11-12H2,1-6H3,(H,22,25)(H,23,24)/t17-/m0/s1
InChIKeyIDPXPAAYWJGYLQ-KRWDZBQOSA-N
XLogP2.93
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diethoxyphenyl)-N-[(3S)-2,2-dimethyl-6-oxopiperidin-3-yl]-2-methylpropanamide?
The IUPAC name of 2-(3,4-diethoxyphenyl)-N-[(3S)-2,2-dimethyl-6-oxopiperidin-3-yl]-2-methylpropanamide (CID 164639565) is 2-(3,4-diethoxyphenyl)-N-[(3S)-2,2-dimethyl-6-oxopiperidin-3-yl]-2-methylpropanamide.
What is the SMILES notation for 2-(3,4-diethoxyphenyl)-N-[(3S)-2,2-dimethyl-6-oxopiperidin-3-yl]-2-methylpropanamide?
The canonical SMILES for 2-(3,4-diethoxyphenyl)-N-[(3S)-2,2-dimethyl-6-oxopiperidin-3-yl]-2-methylpropanamide is CCOc1ccc(C(C)(C)C(=O)N[C@H]2CCC(=O)NC2(C)C)cc1OCC.
What is the InChIKey of 2-(3,4-diethoxyphenyl)-N-[(3S)-2,2-dimethyl-6-oxopiperidin-3-yl]-2-methylpropanamide?
The InChIKey is IDPXPAAYWJGYLQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-7-26-15-10-9-14(13-16(15)27-8-2)20(3,4)19(25)22-17-11-12-18(24)23-21(17,5)6/h9-10,13,17H,7-8,11-12H2,1-6H3,(H,22,25)(H,23,24)/t17-/m0/s1.
What are the key properties of 2-(3,4-diethoxyphenyl)-N-[(3S)-2,2-dimethyl-6-oxopiperidin-3-yl]-2-methylpropanamide?
2-(3,4-diethoxyphenyl)-N-[(3S)-2,2-dimethyl-6-oxopiperidin-3-yl]-2-methylpropanamide has a molecular weight of 376.50 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diethoxyphenyl)-N-[(3S)-2,2-dimethyl-6-oxopiperidin-3-yl]-2-methylpropanamide is sourced from PubChem (CID 164639565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).