1-[[1-(piperidine-3-carbonyl)piperidin-4-yl]methyl]piperidin-2-one

C17H29N3O2 — CID 119329547

IUPAC1-[[1-(piperidine-3-carbonyl)piperidin-4-yl]methyl]piperidin-2-one
SMILESO=C1CCCCN1CC1CCN(C(=O)C2CCCNC2)CC1
InChIInChI=1S/C17H29N3O2/c21-16-5-1-2-9-20(16)13-14-6-10-19(11-7-14)17(22)15-4-3-8-18-12-15/h14-15,18H,1-13H2
InChIKeyMODGDDWFFYXPSL-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.24
Rot. Bonds3

About 1-[[1-(piperidine-3-carbonyl)piperidin-4-yl]methyl]piperidin-2-one

1-[[1-(piperidine-3-carbonyl)piperidin-4-yl]methyl]piperidin-2-one (PubChem CID 119329547) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-[[1-(piperidine-3-carbonyl)piperidin-4-yl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[[1-(piperidine-3-carbonyl)piperidin-4-yl]methyl]piperidin-2-one
PubChem CID119329547
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name1-[[1-(piperidine-3-carbonyl)piperidin-4-yl]methyl]piperidin-2-one
SMILESO=C1CCCCN1CC1CCN(C(=O)C2CCCNC2)CC1
InChIInChI=1S/C17H29N3O2/c21-16-5-1-2-9-20(16)13-14-6-10-19(11-7-14)17(22)15-4-3-8-18-12-15/h14-15,18H,1-13H2
InChIKeyMODGDDWFFYXPSL-UHFFFAOYSA-N
XLogP1.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperidin-4-yl]methyl]piperidin-2-one
CID 120634417
(4R,6S)-6-methyl-4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one
CID 97347669
(4-ethylpiperidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81129798
[4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 81128684
1-(cyclohexylmethyl)-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one
CID 45242721
[4-[(dimethylamino)methyl]piperidin-1-yl]-piperidin-3-ylmethanone
CID 54874476
azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901
1-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]piperidin-2-one
CID 119931911
1-[[1-[6-(piperidin-3-ylamino)pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 56745113
piperidin-3-yl-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119894675
1-[[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one;hydrochloride
CID 119794144

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(piperidine-3-carbonyl)piperidin-4-yl]methyl]piperidin-2-one?
The IUPAC name of 1-[[1-(piperidine-3-carbonyl)piperidin-4-yl]methyl]piperidin-2-one (CID 119329547) is 1-[[1-(piperidine-3-carbonyl)piperidin-4-yl]methyl]piperidin-2-one.
What is the SMILES notation for 1-[[1-(piperidine-3-carbonyl)piperidin-4-yl]methyl]piperidin-2-one?
The canonical SMILES for 1-[[1-(piperidine-3-carbonyl)piperidin-4-yl]methyl]piperidin-2-one is O=C1CCCCN1CC1CCN(C(=O)C2CCCNC2)CC1.
What is the InChIKey of 1-[[1-(piperidine-3-carbonyl)piperidin-4-yl]methyl]piperidin-2-one?
The InChIKey is MODGDDWFFYXPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c21-16-5-1-2-9-20(16)13-14-6-10-19(11-7-14)17(22)15-4-3-8-18-12-15/h14-15,18H,1-13H2.
What are the key properties of 1-[[1-(piperidine-3-carbonyl)piperidin-4-yl]methyl]piperidin-2-one?
1-[[1-(piperidine-3-carbonyl)piperidin-4-yl]methyl]piperidin-2-one has a molecular weight of 307.44 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(piperidine-3-carbonyl)piperidin-4-yl]methyl]piperidin-2-one is sourced from PubChem (CID 119329547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).