5-[4-[[methyl(propan-2-yl)amino]methyl]piperidine-1-carbonyl]piperidin-2-one

C16H29N3O2 — CID 78968223

IUPAC5-[4-[[methyl(propan-2-yl)amino]methyl]piperidine-1-carbonyl]piperidin-2-one
SMILESCC(C)N(C)CC1CCN(C(=O)C2CCC(=O)NC2)CC1
InChIInChI=1S/C16H29N3O2/c1-12(2)18(3)11-13-6-8-19(9-7-13)16(21)14-4-5-15(20)17-10-14/h12-14H,4-11H2,1-3H3,(H,17,20)
InChIKeyDHOANTKQNTVDPH-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.09
Rot. Bonds4

About 5-[4-[[methyl(propan-2-yl)amino]methyl]piperidine-1-carbonyl]piperidin-2-one

5-[4-[[methyl(propan-2-yl)amino]methyl]piperidine-1-carbonyl]piperidin-2-one (PubChem CID 78968223) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 5-[4-[[methyl(propan-2-yl)amino]methyl]piperidine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name5-[4-[[methyl(propan-2-yl)amino]methyl]piperidine-1-carbonyl]piperidin-2-one
PubChem CID78968223
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name5-[4-[[methyl(propan-2-yl)amino]methyl]piperidine-1-carbonyl]piperidin-2-one
SMILESCC(C)N(C)CC1CCN(C(=O)C2CCC(=O)NC2)CC1
InChIInChI=1S/C16H29N3O2/c1-12(2)18(3)11-13-6-8-19(9-7-13)16(21)14-4-5-15(20)17-10-14/h12-14H,4-11H2,1-3H3,(H,17,20)
InChIKeyDHOANTKQNTVDPH-UHFFFAOYSA-N
XLogP1.09
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-Diethylpiperidine-3-carboxamide
CID 18793
Piperidine-1,3-dicarboxylic acid 3-sec-butylamide 1-cyclohexylamide
CID 3222852
3-(Piperidine-1-carbonyl)piperidin-2-one
CID 2912701
1-acetyl-N-(1-propylpiperidin-4-yl)piperidine-4-carboxamide
CID 6467229
N-cyclohexyl-1-cyclopropyl-6-oxo-3-piperidinecarboxamide
CID 24791779
Pentanamide, N-(1-(1-oxo-2-propylpentyl)-4-piperidinyl)-2-propyl-
CID 3075854
Ketone, piperidino 3-piperidyl
CID 218422
1-[(1-Cycloheptyl-6-oxo-3-piperidinyl)carbonyl]-4-piperidinecarboxamide
CID 24790153
N-(2-{1-[(1-cyclopentyl-6-oxo-3-piperidinyl)carbonyl]-4-piperidinyl}ethyl)acetamide
CID 24817555
(3s)-Piperidin-3-Yl(Piperidin-1-Yl)methanone
CID 1532247
1-cyclopentyl-6-oxo-N-[2-(2-oxo-1-piperidinyl)ethyl]-3-piperidinecarboxamide
CID 45190057
1'-isopropyl-N-[(3-methyl-3-oxetanyl)methyl]-1,4'-bipiperidine-3-carboxamide
CID 45206036

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[methyl(propan-2-yl)amino]methyl]piperidine-1-carbonyl]piperidin-2-one?
The IUPAC name of 5-[4-[[methyl(propan-2-yl)amino]methyl]piperidine-1-carbonyl]piperidin-2-one (CID 78968223) is 5-[4-[[methyl(propan-2-yl)amino]methyl]piperidine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 5-[4-[[methyl(propan-2-yl)amino]methyl]piperidine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 5-[4-[[methyl(propan-2-yl)amino]methyl]piperidine-1-carbonyl]piperidin-2-one is CC(C)N(C)CC1CCN(C(=O)C2CCC(=O)NC2)CC1.
What is the InChIKey of 5-[4-[[methyl(propan-2-yl)amino]methyl]piperidine-1-carbonyl]piperidin-2-one?
The InChIKey is DHOANTKQNTVDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-12(2)18(3)11-13-6-8-19(9-7-13)16(21)14-4-5-15(20)17-10-14/h12-14H,4-11H2,1-3H3,(H,17,20).
What are the key properties of 5-[4-[[methyl(propan-2-yl)amino]methyl]piperidine-1-carbonyl]piperidin-2-one?
5-[4-[[methyl(propan-2-yl)amino]methyl]piperidine-1-carbonyl]piperidin-2-one has a molecular weight of 295.43 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[methyl(propan-2-yl)amino]methyl]piperidine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 78968223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).