1-[4-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]piperidin-1-yl]butan-1-one

C17H32N2O2 — CID 95194090

IUPAC1-[4-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(N2CCCC[C@H]2CCOC)CC1
InChIInChI=1S/C17H32N2O2/c1-3-6-17(20)18-12-8-16(9-13-18)19-11-5-4-7-15(19)10-14-21-2/h15-16H,3-14H2,1-2H3/t15-/m0/s1
InChIKeyUYJDXNVHRUVTPV-HNNXBMFYSA-N
MW296.45 g/mol
LogP2.67
Rot. Bonds6

About 1-[4-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]piperidin-1-yl]butan-1-one

1-[4-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]piperidin-1-yl]butan-1-one (PubChem CID 95194090) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 1-[4-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]piperidin-1-yl]butan-1-one
PubChem CID95194090
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name1-[4-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(N2CCCC[C@H]2CCOC)CC1
InChIInChI=1S/C17H32N2O2/c1-3-6-17(20)18-12-8-16(9-13-18)19-11-5-4-7-15(19)10-14-21-2/h15-16H,3-14H2,1-2H3/t15-/m0/s1
InChIKeyUYJDXNVHRUVTPV-HNNXBMFYSA-N
XLogP2.67
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]piperidin-1-yl]butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2-methoxyethyl)piperidin-1-yl]pentan-1-one
CID 90437878
(2S)-1-cyclopentyl-2-propylpiperidine
CID 170635716
2-hydroxy-1-[2-(2-methoxyethyl)piperidin-1-yl]ethanone
CID 77474029
1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 113005746
ethane;1-pyrrolidin-1-ylbutan-1-one
CID 142223486
1-(2-ethylazepan-1-yl)-3-methoxypropan-1-one
CID 167776443
3-(1-cycloheptylpiperidin-2-yl)propanoic acid
CID 65062233
3-methoxy-1-piperidin-1-ylpropan-1-one
CID 15751929
1-[2-(2-aminoethyl)piperidin-1-yl]butan-1-one
CID 63754291
methyl 5-[4-[(2R)-2-methylpyrrolidin-1-yl]piperidin-1-yl]-5-oxopentanoate
CID 97308388
1-(2-ethylpyrrolidin-1-yl)butan-1-one
CID 63083979
1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one
CID 54447693

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[4-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]piperidin-1-yl]butan-1-one (CID 95194090) is 1-[4-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]piperidin-1-yl]butan-1-one is CCCC(=O)N1CCC(N2CCCC[C@H]2CCOC)CC1.
What is the InChIKey of 1-[4-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]piperidin-1-yl]butan-1-one?
The InChIKey is UYJDXNVHRUVTPV-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-3-6-17(20)18-12-8-16(9-13-18)19-11-5-4-7-15(19)10-14-21-2/h15-16H,3-14H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-[4-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]piperidin-1-yl]butan-1-one?
1-[4-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]piperidin-1-yl]butan-1-one has a molecular weight of 296.45 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 95194090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).