(2R)-2-ethoxy-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]butan-1-one

C17H30N2O3 — CID 94666535

IUPAC(2R)-2-ethoxy-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]butan-1-one
SMILESCCO[C@H](CC)C(=O)N1CCC(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C17H30N2O3/c1-3-15(22-4-2)17(21)19-12-8-14(9-13-19)16(20)18-10-6-5-7-11-18/h14-15H,3-13H2,1-2H3/t15-/m1/s1
InChIKeyODVMMIFQTPQEGM-OAHLLOKOSA-N
MW310.44 g/mol
LogP2.05
Rot. Bonds5

About (2R)-2-ethoxy-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]butan-1-one

(2R)-2-ethoxy-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]butan-1-one (PubChem CID 94666535) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is (2R)-2-ethoxy-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name(2R)-2-ethoxy-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]butan-1-one
PubChem CID94666535
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name(2R)-2-ethoxy-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]butan-1-one
SMILESCCO[C@H](CC)C(=O)N1CCC(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C17H30N2O3/c1-3-15(22-4-2)17(21)19-12-8-14(9-13-19)16(20)18-10-6-5-7-11-18/h14-15H,3-13H2,1-2H3/t15-/m1/s1
InChIKeyODVMMIFQTPQEGM-OAHLLOKOSA-N
XLogP2.05
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 113003024
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-ethylbutan-1-one
CID 113005988
1-(2-ethoxybutanoyl)piperidine-3-carboxylic acid
CID 126790398
1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 113003020
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844
1-piperidin-1-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 134058372
(2R)-2-ethoxy-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one
CID 94666820
[(2R,3R)-1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]azanium
CID 6941406
(2S)-2-ethoxy-1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]butan-1-one
CID 95613590
(2S)-2-ethoxy-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]butan-1-one
CID 95613591
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-methylsulfanylpentan-1-one
CID 84589915
2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 134058373

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethoxy-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]butan-1-one?
The IUPAC name of (2R)-2-ethoxy-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]butan-1-one (CID 94666535) is (2R)-2-ethoxy-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for (2R)-2-ethoxy-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for (2R)-2-ethoxy-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]butan-1-one is CCO[C@H](CC)C(=O)N1CCC(C(=O)N2CCCCC2)CC1.
What is the InChIKey of (2R)-2-ethoxy-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]butan-1-one?
The InChIKey is ODVMMIFQTPQEGM-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-3-15(22-4-2)17(21)19-12-8-14(9-13-19)16(20)18-10-6-5-7-11-18/h14-15H,3-13H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-2-ethoxy-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]butan-1-one?
(2R)-2-ethoxy-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]butan-1-one has a molecular weight of 310.44 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethoxy-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 94666535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).