4-[3-[3-[4-(3-methylazetidin-1-yl)butan-2-yl]pyrrolidin-1-yl]butyl]-1-propan-2-ylpiperidine

C24H47N3 — CID 155048141

IUPAC4-[3-[3-[4-(3-methylazetidin-1-yl)butan-2-yl]pyrrolidin-1-yl]butyl]-1-propan-2-ylpiperidine
SMILESCC1CN(CCC(C)C2CCN(C(C)CCC3CCN(C(C)C)CC3)C2)C1
InChIInChI=1S/C24H47N3/c1-19(2)26-13-9-23(10-14-26)7-6-22(5)27-15-11-24(18-27)21(4)8-12-25-16-20(3)17-25/h19-24H,6-18H2,1-5H3
InChIKeyDHJJFRPNJIWFAZ-UHFFFAOYSA-N
MW377.66 g/mol
LogP4.58
Rot. Bonds9

About 4-[3-[3-[4-(3-methylazetidin-1-yl)butan-2-yl]pyrrolidin-1-yl]butyl]-1-propan-2-ylpiperidine

4-[3-[3-[4-(3-methylazetidin-1-yl)butan-2-yl]pyrrolidin-1-yl]butyl]-1-propan-2-ylpiperidine (PubChem CID 155048141) has the molecular formula C24H47N3 and a molecular weight of 377.66 g/mol. Its IUPAC name is 4-[3-[3-[4-(3-methylazetidin-1-yl)butan-2-yl]pyrrolidin-1-yl]butyl]-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-[3-[3-[4-(3-methylazetidin-1-yl)butan-2-yl]pyrrolidin-1-yl]butyl]-1-propan-2-ylpiperidine
PubChem CID155048141
Molecular FormulaC24H47N3
Molecular Weight377.66 g/mol
Exact Mass377.38
IUPAC Name4-[3-[3-[4-(3-methylazetidin-1-yl)butan-2-yl]pyrrolidin-1-yl]butyl]-1-propan-2-ylpiperidine
SMILESCC1CN(CCC(C)C2CCN(C(C)CCC3CCN(C(C)C)CC3)C2)C1
InChIInChI=1S/C24H47N3/c1-19(2)26-13-9-23(10-14-26)7-6-22(5)27-15-11-24(18-27)21(4)8-12-25-16-20(3)17-25/h19-24H,6-18H2,1-5H3
InChIKeyDHJJFRPNJIWFAZ-UHFFFAOYSA-N
XLogP4.58
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.66
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[3-[3-[4-(3-methylazetidin-1-yl)butan-2-yl]pyrrolidin-1-yl]butyl]-1-propan-2-ylpiperidine 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 4-[3-[3-[4-(3-methylazetidin-1-yl)butan-2-yl]pyrrolidin-1-yl]butyl]-1-propan-2-ylpiperidine?
The IUPAC name of 4-[3-[3-[4-(3-methylazetidin-1-yl)butan-2-yl]pyrrolidin-1-yl]butyl]-1-propan-2-ylpiperidine (CID 155048141) is 4-[3-[3-[4-(3-methylazetidin-1-yl)butan-2-yl]pyrrolidin-1-yl]butyl]-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-[3-[3-[4-(3-methylazetidin-1-yl)butan-2-yl]pyrrolidin-1-yl]butyl]-1-propan-2-ylpiperidine?
The canonical SMILES for 4-[3-[3-[4-(3-methylazetidin-1-yl)butan-2-yl]pyrrolidin-1-yl]butyl]-1-propan-2-ylpiperidine is CC1CN(CCC(C)C2CCN(C(C)CCC3CCN(C(C)C)CC3)C2)C1.
What is the InChIKey of 4-[3-[3-[4-(3-methylazetidin-1-yl)butan-2-yl]pyrrolidin-1-yl]butyl]-1-propan-2-ylpiperidine?
The InChIKey is DHJJFRPNJIWFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47N3/c1-19(2)26-13-9-23(10-14-26)7-6-22(5)27-15-11-24(18-27)21(4)8-12-25-16-20(3)17-25/h19-24H,6-18H2,1-5H3.
What are the key properties of 4-[3-[3-[4-(3-methylazetidin-1-yl)butan-2-yl]pyrrolidin-1-yl]butyl]-1-propan-2-ylpiperidine?
4-[3-[3-[4-(3-methylazetidin-1-yl)butan-2-yl]pyrrolidin-1-yl]butyl]-1-propan-2-ylpiperidine has a molecular weight of 377.66 g/mol, XLogP of 4.58, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-[4-(3-methylazetidin-1-yl)butan-2-yl]pyrrolidin-1-yl]butyl]-1-propan-2-ylpiperidine is sourced from PubChem (CID 155048141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).