1-(piperidin-3-ylmethyl)-1,4-diazepan-5-one

C11H21N3O — CID 63004638

IUPAC1-(piperidin-3-ylmethyl)-1,4-diazepan-5-one
SMILESO=C1CCN(CC2CCCNC2)CCN1
InChIInChI=1S/C11H21N3O/c15-11-3-6-14(7-5-13-11)9-10-2-1-4-12-8-10/h10,12H,1-9H2,(H,13,15)
InChIKeyHAHNELOIQJAYTO-UHFFFAOYSA-N
MW211.31 g/mol
LogP-0.19
Rot. Bonds2

About 1-(piperidin-3-ylmethyl)-1,4-diazepan-5-one

1-(piperidin-3-ylmethyl)-1,4-diazepan-5-one (PubChem CID 63004638) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-(piperidin-3-ylmethyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-(piperidin-3-ylmethyl)-1,4-diazepan-5-one
PubChem CID63004638
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-(piperidin-3-ylmethyl)-1,4-diazepan-5-one
SMILESO=C1CCN(CC2CCCNC2)CCN1
InChIInChI=1S/C11H21N3O/c15-11-3-6-14(7-5-13-11)9-10-2-1-4-12-8-10/h10,12H,1-9H2,(H,13,15)
InChIKeyHAHNELOIQJAYTO-UHFFFAOYSA-N
XLogP-0.19
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3R)-pyrrolidin-3-yl]methyl]piperazin-2-one
CID 86323546
1-(piperidin-3-ylmethyl)pyrrolidin-3-one;hydrochloride
CID 115031072
5-[[(3S)-piperidin-3-yl]methyl]-1,2,5-dithiazepane
CID 130659365
1-methyl-2-(piperidin-3-ylmethyl)pyrazolidin-3-one
CID 105450979
[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanol
CID 80554337
1-(2-piperidin-4-ylethyl)-1,4-diazepan-5-one
CID 105061114
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 24703662
1-cyclopropyl-2-(piperidin-3-ylmethyl)pyrazolidin-3-one
CID 105481028
2-[4-[[(3S)-piperidin-3-yl]methyl]piperazin-1-yl]ethanol
CID 86323269
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride
CID 53408753
1-[[(3R)-pyrrolidin-3-yl]methyl]pyrrolidine
CID 58880458
5-(piperidin-3-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
CID 119929943

Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-3-ylmethyl)-1,4-diazepan-5-one?
The IUPAC name of 1-(piperidin-3-ylmethyl)-1,4-diazepan-5-one (CID 63004638) is 1-(piperidin-3-ylmethyl)-1,4-diazepan-5-one.
What is the SMILES notation for 1-(piperidin-3-ylmethyl)-1,4-diazepan-5-one?
The canonical SMILES for 1-(piperidin-3-ylmethyl)-1,4-diazepan-5-one is O=C1CCN(CC2CCCNC2)CCN1.
What is the InChIKey of 1-(piperidin-3-ylmethyl)-1,4-diazepan-5-one?
The InChIKey is HAHNELOIQJAYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c15-11-3-6-14(7-5-13-11)9-10-2-1-4-12-8-10/h10,12H,1-9H2,(H,13,15).
What are the key properties of 1-(piperidin-3-ylmethyl)-1,4-diazepan-5-one?
1-(piperidin-3-ylmethyl)-1,4-diazepan-5-one has a molecular weight of 211.31 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-3-ylmethyl)-1,4-diazepan-5-one is sourced from PubChem (CID 63004638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).