1-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]piperidin-2-one

C17H31N3O — CID 119931911

IUPAC1-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]piperidin-2-one
SMILESO=C1CCCCN1CC1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C17H31N3O/c21-17-3-1-2-10-20(17)14-16-6-11-19(12-7-16)13-15-4-8-18-9-5-15/h15-16,18H,1-14H2
InChIKeyCNNYBVDIJSJGSR-UHFFFAOYSA-N
MW293.45 g/mol
LogP1.71
Rot. Bonds4

About 1-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]piperidin-2-one

1-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]piperidin-2-one (PubChem CID 119931911) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]piperidin-2-one
PubChem CID119931911
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name1-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]piperidin-2-one
SMILESO=C1CCCCN1CC1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C17H31N3O/c21-17-3-1-2-10-20(17)14-16-6-11-19(12-7-16)13-15-4-8-18-9-5-15/h15-16,18H,1-14H2
InChIKeyCNNYBVDIJSJGSR-UHFFFAOYSA-N
XLogP1.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]piperidin-2-one with MolForge

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Related Compounds

1-(piperidin-4-ylmethyl)pyrrolidin-2-one;dihydrochloride
CID 155973196
1-[[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]piperidin-2-one
CID 111496581
1-(piperidin-4-ylmethyl)piperidin-4-one
CID 115020783
1-[[1-(piperidine-3-carbonyl)piperidin-4-yl]methyl]piperidin-2-one
CID 119329547
1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386
1-[(1-tert-butylpiperidin-4-yl)methyl]pyrrolidin-2-one
CID 59776829
N-methyl-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanamine
CID 156720132
4-piperidin-1-yl-1-(piperidin-4-ylmethyl)piperidine
CID 61244264
1-[[1-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperidin-4-yl]methyl]piperidin-2-one
CID 120634417
4-(thian-4-ylmethyl)-1,4-diazepan-5-one
CID 115100428
4-(piperidin-4-ylmethyl)morpholin-3-one
CID 79469503

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]piperidin-2-one?
The IUPAC name of 1-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]piperidin-2-one (CID 119931911) is 1-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]piperidin-2-one.
What is the SMILES notation for 1-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]piperidin-2-one?
The canonical SMILES for 1-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]piperidin-2-one is O=C1CCCCN1CC1CCN(CC2CCNCC2)CC1.
What is the InChIKey of 1-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]piperidin-2-one?
The InChIKey is CNNYBVDIJSJGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c21-17-3-1-2-10-20(17)14-16-6-11-19(12-7-16)13-15-4-8-18-9-5-15/h15-16,18H,1-14H2.
What are the key properties of 1-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]piperidin-2-one?
1-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]piperidin-2-one has a molecular weight of 293.45 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]piperidin-2-one is sourced from PubChem (CID 119931911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).