5-amino-1-butan-2-yl-6-(2,5-dimethoxyphenyl)piperidin-2-one

C17H26N2O3 — CID 82193380

IUPAC5-amino-1-butan-2-yl-6-(2,5-dimethoxyphenyl)piperidin-2-one
SMILESCCC(C)N1C(=O)CCC(N)C1c1cc(OC)ccc1OC
InChIInChI=1S/C17H26N2O3/c1-5-11(2)19-16(20)9-7-14(18)17(19)13-10-12(21-3)6-8-15(13)22-4/h6,8,10-11,14,17H,5,7,9,18H2,1-4H3
InChIKeyMIQIOZSCBGMXEP-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.49
Rot. Bonds5

About 5-amino-1-butan-2-yl-6-(2,5-dimethoxyphenyl)piperidin-2-one

5-amino-1-butan-2-yl-6-(2,5-dimethoxyphenyl)piperidin-2-one (PubChem CID 82193380) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 5-amino-1-butan-2-yl-6-(2,5-dimethoxyphenyl)piperidin-2-one.

Molecular Properties

Compound Name5-amino-1-butan-2-yl-6-(2,5-dimethoxyphenyl)piperidin-2-one
PubChem CID82193380
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name5-amino-1-butan-2-yl-6-(2,5-dimethoxyphenyl)piperidin-2-one
SMILESCCC(C)N1C(=O)CCC(N)C1c1cc(OC)ccc1OC
InChIInChI=1S/C17H26N2O3/c1-5-11(2)19-16(20)9-7-14(18)17(19)13-10-12(21-3)6-8-15(13)22-4/h6,8,10-11,14,17H,5,7,9,18H2,1-4H3
InChIKeyMIQIOZSCBGMXEP-UHFFFAOYSA-N
XLogP2.49
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-butan-2-yl-5-(4-methoxyphenyl)pyrrolidin-2-one
CID 82193106
5-amino-6-(3-methoxy-4-propan-2-yloxyphenyl)-1-methylpiperidin-2-one
CID 82193322
5-amino-6-(3-methoxyphenyl)-1-(3-methylbutyl)piperidin-2-one
CID 82193447
5-amino-1-butyl-6-(2-methoxyphenyl)piperidin-2-one
CID 82193413
5-amino-6-(4-ethoxy-3-methoxyphenyl)-1-ethylpiperidin-2-one
CID 82193334
1-butan-2-yl-5-(2,5-dimethoxyphenyl)-5-methyl-4H-imidazol-2-amine
CID 79503022
5-amino-6-(2,4-dimethoxyphenyl)piperidin-2-one
CID 64541230
5-amino-6-(2-chloro-6-methoxyphenyl)-1-ethylpiperidin-2-one
CID 104818739
1-butan-2-yl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 53214378
(2S)-3-[(2S)-butan-2-yl]-2-(2,4-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008097
2-(2,5-dimethoxyphenyl)oxan-3-amine
CID 79364595
5-amino-4-(2,5-dimethoxyphenyl)-3-propan-2-yl-4H-imidazol-2-one
CID 79967027

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-butan-2-yl-6-(2,5-dimethoxyphenyl)piperidin-2-one?
The IUPAC name of 5-amino-1-butan-2-yl-6-(2,5-dimethoxyphenyl)piperidin-2-one (CID 82193380) is 5-amino-1-butan-2-yl-6-(2,5-dimethoxyphenyl)piperidin-2-one.
What is the SMILES notation for 5-amino-1-butan-2-yl-6-(2,5-dimethoxyphenyl)piperidin-2-one?
The canonical SMILES for 5-amino-1-butan-2-yl-6-(2,5-dimethoxyphenyl)piperidin-2-one is CCC(C)N1C(=O)CCC(N)C1c1cc(OC)ccc1OC.
What is the InChIKey of 5-amino-1-butan-2-yl-6-(2,5-dimethoxyphenyl)piperidin-2-one?
The InChIKey is MIQIOZSCBGMXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-5-11(2)19-16(20)9-7-14(18)17(19)13-10-12(21-3)6-8-15(13)22-4/h6,8,10-11,14,17H,5,7,9,18H2,1-4H3.
What are the key properties of 5-amino-1-butan-2-yl-6-(2,5-dimethoxyphenyl)piperidin-2-one?
5-amino-1-butan-2-yl-6-(2,5-dimethoxyphenyl)piperidin-2-one has a molecular weight of 306.41 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-butan-2-yl-6-(2,5-dimethoxyphenyl)piperidin-2-one is sourced from PubChem (CID 82193380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).