1-methyl-4-[4-(2-methylpropoxy)piperidine-1-carbonyl]piperidin-2-one

C16H28N2O3 — CID 75461750

IUPAC1-methyl-4-[4-(2-methylpropoxy)piperidine-1-carbonyl]piperidin-2-one
SMILESCC(C)COC1CCN(C(=O)C2CCN(C)C(=O)C2)CC1
InChIInChI=1S/C16H28N2O3/c1-12(2)11-21-14-5-8-18(9-6-14)16(20)13-4-7-17(3)15(19)10-13/h12-14H,4-11H2,1-3H3
InChIKeyWHVIWHGENSOMTQ-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.52
Rot. Bonds4

About 1-methyl-4-[4-(2-methylpropoxy)piperidine-1-carbonyl]piperidin-2-one

1-methyl-4-[4-(2-methylpropoxy)piperidine-1-carbonyl]piperidin-2-one (PubChem CID 75461750) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-methyl-4-[4-(2-methylpropoxy)piperidine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name1-methyl-4-[4-(2-methylpropoxy)piperidine-1-carbonyl]piperidin-2-one
PubChem CID75461750
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-methyl-4-[4-(2-methylpropoxy)piperidine-1-carbonyl]piperidin-2-one
SMILESCC(C)COC1CCN(C(=O)C2CCN(C)C(=O)C2)CC1
InChIInChI=1S/C16H28N2O3/c1-12(2)11-21-14-5-8-18(9-6-14)16(20)13-4-7-17(3)15(19)10-13/h12-14H,4-11H2,1-3H3
InChIKeyWHVIWHGENSOMTQ-UHFFFAOYSA-N
XLogP1.52
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-(4-Ethoxypiperidin-1-yl)-4-oxobutyl]piperidin-2-one
CID 131909971
1-{4-[4-(Methoxymethyl)piperidin-1-yl]-4-oxobutyl}piperidin-2-one
CID 131922514
1-[4-[2-(3-Fluoro-4-propan-2-yloxypiperidin-1-yl)ethyl]piperidin-1-yl]ethanone
CID 156187618
1-[4-[(3-Fluoro-4-propan-2-yloxypiperidin-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 156707400
1-[4-[3-Fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one
CID 156707401
1-[4-[(3-Fluoro-4-propan-2-yloxypiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 165372729
1-[4-[2-[3-Fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one
CID 165372730
1-[4-[2-[3-Fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethyl]piperidin-1-yl]propan-1-one
CID 174351181

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(2-methylpropoxy)piperidine-1-carbonyl]piperidin-2-one?
The IUPAC name of 1-methyl-4-[4-(2-methylpropoxy)piperidine-1-carbonyl]piperidin-2-one (CID 75461750) is 1-methyl-4-[4-(2-methylpropoxy)piperidine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 1-methyl-4-[4-(2-methylpropoxy)piperidine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 1-methyl-4-[4-(2-methylpropoxy)piperidine-1-carbonyl]piperidin-2-one is CC(C)COC1CCN(C(=O)C2CCN(C)C(=O)C2)CC1.
What is the InChIKey of 1-methyl-4-[4-(2-methylpropoxy)piperidine-1-carbonyl]piperidin-2-one?
The InChIKey is WHVIWHGENSOMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-12(2)11-21-14-5-8-18(9-6-14)16(20)13-4-7-17(3)15(19)10-13/h12-14H,4-11H2,1-3H3.
What are the key properties of 1-methyl-4-[4-(2-methylpropoxy)piperidine-1-carbonyl]piperidin-2-one?
1-methyl-4-[4-(2-methylpropoxy)piperidine-1-carbonyl]piperidin-2-one has a molecular weight of 296.41 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(2-methylpropoxy)piperidine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 75461750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).