1-[4-(4-ethoxypiperidin-1-yl)-4-oxobutyl]piperidin-2-one

C16H28N2O3 — CID 131909971

IUPAC1-[4-(4-ethoxypiperidin-1-yl)-4-oxobutyl]piperidin-2-one
SMILESCCOC1CCN(C(=O)CCCN2CCCCC2=O)CC1
InChIInChI=1S/C16H28N2O3/c1-2-21-14-8-12-18(13-9-14)16(20)7-5-11-17-10-4-3-6-15(17)19/h14H,2-13H2,1H3
InChIKeyRLPZQVXLQRKYLS-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.81
Rot. Bonds6

About 1-[4-(4-ethoxypiperidin-1-yl)-4-oxobutyl]piperidin-2-one

1-[4-(4-ethoxypiperidin-1-yl)-4-oxobutyl]piperidin-2-one (PubChem CID 131909971) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[4-(4-ethoxypiperidin-1-yl)-4-oxobutyl]piperidin-2-one.

Molecular Properties

Compound Name1-[4-(4-ethoxypiperidin-1-yl)-4-oxobutyl]piperidin-2-one
PubChem CID131909971
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[4-(4-ethoxypiperidin-1-yl)-4-oxobutyl]piperidin-2-one
SMILESCCOC1CCN(C(=O)CCCN2CCCCC2=O)CC1
InChIInChI=1S/C16H28N2O3/c1-2-21-14-8-12-18(13-9-14)16(20)7-5-11-17-10-4-3-6-15(17)19/h14H,2-13H2,1H3
InChIKeyRLPZQVXLQRKYLS-UHFFFAOYSA-N
XLogP1.81
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(4-ethoxypiperidin-1-yl)-4-oxobutyl]piperidin-2-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-[(1-Propionyl-4-piperidyl)oxy]piperidino}-1-propanone
CID 91916304
1,5-Bis(2,6-dimethylmorpholin-4-yl)pentane-1,5-dione
CID 2804870
2-Ethyl-1-{4-[(1-methyl-4-piperidyl)oxy]piperidino}-1-butanone
CID 91916415
Cyclopropyl{4-[(1-methyl-4-piperidyl)oxy]piperidino}methanone
CID 110876283
2,2-Dimethyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one
CID 110876285
(4S)-1-methyl-4-[4-(2-methylpropoxy)piperidine-1-carbonyl]piperidin-2-one
CID 94632366
1-[4-(3-Fluoro-1-propylpiperidin-4-yl)oxypiperidin-1-yl]ethanone
CID 156187212
1-[4-[3-Fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one
CID 156707401
1-[4-(3-Fluoro-1-propylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one
CID 156707590
1-Methyl-4-[4-(2-methylpropoxy)piperidine-1-carbonyl]piperidin-2-one
CID 75461750
1-{4-[(1-Methyl-4-piperidyl)oxy]piperidino}-1-butanone
CID 91916435
1-(4-Methoxy-[1,4'-bipiperidin]-1'-yl)butan-1-one
CID 22973285

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethoxypiperidin-1-yl)-4-oxobutyl]piperidin-2-one?
The IUPAC name of 1-[4-(4-ethoxypiperidin-1-yl)-4-oxobutyl]piperidin-2-one (CID 131909971) is 1-[4-(4-ethoxypiperidin-1-yl)-4-oxobutyl]piperidin-2-one.
What is the SMILES notation for 1-[4-(4-ethoxypiperidin-1-yl)-4-oxobutyl]piperidin-2-one?
The canonical SMILES for 1-[4-(4-ethoxypiperidin-1-yl)-4-oxobutyl]piperidin-2-one is CCOC1CCN(C(=O)CCCN2CCCCC2=O)CC1.
What is the InChIKey of 1-[4-(4-ethoxypiperidin-1-yl)-4-oxobutyl]piperidin-2-one?
The InChIKey is RLPZQVXLQRKYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-2-21-14-8-12-18(13-9-14)16(20)7-5-11-17-10-4-3-6-15(17)19/h14H,2-13H2,1H3.
What are the key properties of 1-[4-(4-ethoxypiperidin-1-yl)-4-oxobutyl]piperidin-2-one?
1-[4-(4-ethoxypiperidin-1-yl)-4-oxobutyl]piperidin-2-one has a molecular weight of 296.41 g/mol, XLogP of 1.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethoxypiperidin-1-yl)-4-oxobutyl]piperidin-2-one is sourced from PubChem (CID 131909971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).