(3-methylpiperidin-1-yl)-piperidin-4-ylmethanone

C12H22N2O — CID 3924348

IUPAC(3-methylpiperidin-1-yl)-piperidin-4-ylmethanone
SMILESCC1CCCN(C(=O)C2CCNCC2)C1
InChIInChI=1S/C12H22N2O/c1-10-3-2-8-14(9-10)12(15)11-4-6-13-7-5-11/h10-11,13H,2-9H2,1H3
InChIKeyICQRQVGOGYEPCC-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.24
Rot. Bonds1

About (3-methylpiperidin-1-yl)-piperidin-4-ylmethanone

(3-methylpiperidin-1-yl)-piperidin-4-ylmethanone (PubChem CID 3924348) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-piperidin-4-ylmethanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-piperidin-4-ylmethanone
PubChem CID3924348
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(3-methylpiperidin-1-yl)-piperidin-4-ylmethanone
SMILESCC1CCCN(C(=O)C2CCNCC2)C1
InChIInChI=1S/C12H22N2O/c1-10-3-2-8-14(9-10)12(15)11-4-6-13-7-5-11/h10-11,13H,2-9H2,1H3
InChIKeyICQRQVGOGYEPCC-UHFFFAOYSA-N
XLogP1.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-piperidin-4-ylmethanone?
The IUPAC name of (3-methylpiperidin-1-yl)-piperidin-4-ylmethanone (CID 3924348) is (3-methylpiperidin-1-yl)-piperidin-4-ylmethanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-piperidin-4-ylmethanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-piperidin-4-ylmethanone is CC1CCCN(C(=O)C2CCNCC2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-piperidin-4-ylmethanone?
The InChIKey is ICQRQVGOGYEPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10-3-2-8-14(9-10)12(15)11-4-6-13-7-5-11/h10-11,13H,2-9H2,1H3.
What are the key properties of (3-methylpiperidin-1-yl)-piperidin-4-ylmethanone?
(3-methylpiperidin-1-yl)-piperidin-4-ylmethanone has a molecular weight of 210.32 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-piperidin-4-ylmethanone is sourced from PubChem (CID 3924348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).