(1-methylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

C16H29N3O — CID 70298433

IUPAC(1-methylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCN1CCC(C(=O)N2CCC(N3CCCC3)CC2)CC1
InChIInChI=1S/C16H29N3O/c1-17-10-4-14(5-11-17)16(20)19-12-6-15(7-13-19)18-8-2-3-9-18/h14-15H,2-13H2,1H3
InChIKeyMOWNQLFSYXLMRD-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.41
Rot. Bonds2

About (1-methylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

(1-methylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 70298433) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID70298433
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name(1-methylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCN1CCC(C(=O)N2CCC(N3CCCC3)CC2)CC1
InChIInChI=1S/C16H29N3O/c1-17-10-4-14(5-11-17)16(20)19-12-6-15(7-13-19)18-8-2-3-9-18/h14-15H,2-13H2,1H3
InChIKeyMOWNQLFSYXLMRD-UHFFFAOYSA-N
XLogP1.41
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1-methylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (1-methylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 70298433) is (1-methylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (1-methylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (1-methylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is CN1CCC(C(=O)N2CCC(N3CCCC3)CC2)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is MOWNQLFSYXLMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-17-10-4-14(5-11-17)16(20)19-12-6-15(7-13-19)18-8-2-3-9-18/h14-15H,2-13H2,1H3.
What are the key properties of (1-methylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
(1-methylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 279.43 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 70298433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).