1-piperidin-1-yl-2-(piperidin-4-ylamino)ethanone

C12H23N3O — CID 10242781

IUPAC1-piperidin-1-yl-2-(piperidin-4-ylamino)ethanone
SMILESO=C(CNC1CCNCC1)N1CCCCC1
InChIInChI=1S/C12H23N3O/c16-12(15-8-2-1-3-9-15)10-14-11-4-6-13-7-5-11/h11,13-14H,1-10H2
InChIKeyPHAPRTHWOHBYCL-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.34
Rot. Bonds3

About 1-piperidin-1-yl-2-(piperidin-4-ylamino)ethanone

1-piperidin-1-yl-2-(piperidin-4-ylamino)ethanone (PubChem CID 10242781) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-(piperidin-4-ylamino)ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-(piperidin-4-ylamino)ethanone
PubChem CID10242781
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-piperidin-1-yl-2-(piperidin-4-ylamino)ethanone
SMILESO=C(CNC1CCNCC1)N1CCCCC1
InChIInChI=1S/C12H23N3O/c16-12(15-8-2-1-3-9-15)10-14-11-4-6-13-7-5-11/h11,13-14H,1-10H2
InChIKeyPHAPRTHWOHBYCL-UHFFFAOYSA-N
XLogP0.34
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-(piperidin-4-ylamino)ethanone?
The IUPAC name of 1-piperidin-1-yl-2-(piperidin-4-ylamino)ethanone (CID 10242781) is 1-piperidin-1-yl-2-(piperidin-4-ylamino)ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-(piperidin-4-ylamino)ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-(piperidin-4-ylamino)ethanone is O=C(CNC1CCNCC1)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-(piperidin-4-ylamino)ethanone?
The InChIKey is PHAPRTHWOHBYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c16-12(15-8-2-1-3-9-15)10-14-11-4-6-13-7-5-11/h11,13-14H,1-10H2.
What are the key properties of 1-piperidin-1-yl-2-(piperidin-4-ylamino)ethanone?
1-piperidin-1-yl-2-(piperidin-4-ylamino)ethanone has a molecular weight of 225.34 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-(piperidin-4-ylamino)ethanone is sourced from PubChem (CID 10242781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).