(2-methylpiperidin-4-yl)-(3-propylpyrrolidin-1-yl)methanone

C14H26N2O — CID 106740610

IUPAC(2-methylpiperidin-4-yl)-(3-propylpyrrolidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)C2CCNC(C)C2)C1
InChIInChI=1S/C14H26N2O/c1-3-4-12-6-8-16(10-12)14(17)13-5-7-15-11(2)9-13/h11-13,15H,3-10H2,1-2H3
InChIKeyADDPECPDBBCJCN-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.02
Rot. Bonds3

About (2-methylpiperidin-4-yl)-(3-propylpyrrolidin-1-yl)methanone

(2-methylpiperidin-4-yl)-(3-propylpyrrolidin-1-yl)methanone (PubChem CID 106740610) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (2-methylpiperidin-4-yl)-(3-propylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-methylpiperidin-4-yl)-(3-propylpyrrolidin-1-yl)methanone
PubChem CID106740610
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(2-methylpiperidin-4-yl)-(3-propylpyrrolidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)C2CCNC(C)C2)C1
InChIInChI=1S/C14H26N2O/c1-3-4-12-6-8-16(10-12)14(17)13-5-7-15-11(2)9-13/h11-13,15H,3-10H2,1-2H3
InChIKeyADDPECPDBBCJCN-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methylpiperidin-4-yl)-(3-propylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-methylpiperidin-4-yl)-(3-propylpyrrolidin-1-yl)methanone (CID 106740610) is (2-methylpiperidin-4-yl)-(3-propylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-methylpiperidin-4-yl)-(3-propylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-methylpiperidin-4-yl)-(3-propylpyrrolidin-1-yl)methanone is CCCC1CCN(C(=O)C2CCNC(C)C2)C1.
What is the InChIKey of (2-methylpiperidin-4-yl)-(3-propylpyrrolidin-1-yl)methanone?
The InChIKey is ADDPECPDBBCJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-4-12-6-8-16(10-12)14(17)13-5-7-15-11(2)9-13/h11-13,15H,3-10H2,1-2H3.
What are the key properties of (2-methylpiperidin-4-yl)-(3-propylpyrrolidin-1-yl)methanone?
(2-methylpiperidin-4-yl)-(3-propylpyrrolidin-1-yl)methanone has a molecular weight of 238.37 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperidin-4-yl)-(3-propylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 106740610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).