1-(1,4-diazepan-1-yl)-2-piperidin-1-ylethanone

C12H23N3O — CID 53211431

IUPAC1-(1,4-diazepan-1-yl)-2-piperidin-1-ylethanone
SMILESO=C(CN1CCCCC1)N1CCCNCC1
InChIInChI=1S/C12H23N3O/c16-12(11-14-7-2-1-3-8-14)15-9-4-5-13-6-10-15/h13H,1-11H2
InChIKeyKLWWHVUSPHOHQZ-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.29
Rot. Bonds2

About 1-(1,4-diazepan-1-yl)-2-piperidin-1-ylethanone

1-(1,4-diazepan-1-yl)-2-piperidin-1-ylethanone (PubChem CID 53211431) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-(1,4-diazepan-1-yl)-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-(1,4-diazepan-1-yl)-2-piperidin-1-ylethanone
PubChem CID53211431
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-(1,4-diazepan-1-yl)-2-piperidin-1-ylethanone
SMILESO=C(CN1CCCCC1)N1CCCNCC1
InChIInChI=1S/C12H23N3O/c16-12(11-14-7-2-1-3-8-14)15-9-4-5-13-6-10-15/h13H,1-11H2
InChIKeyKLWWHVUSPHOHQZ-UHFFFAOYSA-N
XLogP0.29
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-diazepan-1-yl)-2-piperidin-1-ylethanone?
The IUPAC name of 1-(1,4-diazepan-1-yl)-2-piperidin-1-ylethanone (CID 53211431) is 1-(1,4-diazepan-1-yl)-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-(1,4-diazepan-1-yl)-2-piperidin-1-ylethanone?
The canonical SMILES for 1-(1,4-diazepan-1-yl)-2-piperidin-1-ylethanone is O=C(CN1CCCCC1)N1CCCNCC1.
What is the InChIKey of 1-(1,4-diazepan-1-yl)-2-piperidin-1-ylethanone?
The InChIKey is KLWWHVUSPHOHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c16-12(11-14-7-2-1-3-8-14)15-9-4-5-13-6-10-15/h13H,1-11H2.
What are the key properties of 1-(1,4-diazepan-1-yl)-2-piperidin-1-ylethanone?
1-(1,4-diazepan-1-yl)-2-piperidin-1-ylethanone has a molecular weight of 225.34 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-diazepan-1-yl)-2-piperidin-1-ylethanone is sourced from PubChem (CID 53211431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).