4-piperidin-1-yl-1-[2-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propan-2-yl]piperidine

C25H48N4 — CID 138517361

IUPAC4-piperidin-1-yl-1-[2-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propan-2-yl]piperidine
SMILESCC(C)N1CCC(N2CCC(C(C)(C)N3CCC(N4CCCCC4)CC3)C2)CC1
InChIInChI=1S/C25H48N4/c1-21(2)26-16-9-24(10-17-26)28-15-8-22(20-28)25(3,4)29-18-11-23(12-19-29)27-13-6-5-7-14-27/h21-24H,5-20H2,1-4H3
InChIKeyGUKXYKZMNQRVAK-UHFFFAOYSA-N
MW404.69 g/mol
LogP3.91
Rot. Bonds5

About 4-piperidin-1-yl-1-[2-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propan-2-yl]piperidine

4-piperidin-1-yl-1-[2-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propan-2-yl]piperidine (PubChem CID 138517361) has the molecular formula C25H48N4 and a molecular weight of 404.69 g/mol. Its IUPAC name is 4-piperidin-1-yl-1-[2-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propan-2-yl]piperidine.

Molecular Properties

Compound Name4-piperidin-1-yl-1-[2-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propan-2-yl]piperidine
PubChem CID138517361
Molecular FormulaC25H48N4
Molecular Weight404.69 g/mol
Exact Mass404.39
IUPAC Name4-piperidin-1-yl-1-[2-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propan-2-yl]piperidine
SMILESCC(C)N1CCC(N2CCC(C(C)(C)N3CCC(N4CCCCC4)CC3)C2)CC1
InChIInChI=1S/C25H48N4/c1-21(2)26-16-9-24(10-17-26)28-15-8-22(20-28)25(3,4)29-18-11-23(12-19-29)27-13-6-5-7-14-27/h21-24H,5-20H2,1-4H3
InChIKeyGUKXYKZMNQRVAK-UHFFFAOYSA-N
XLogP3.91
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.69
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-1-[2-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propan-2-yl]piperidine?
The IUPAC name of 4-piperidin-1-yl-1-[2-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propan-2-yl]piperidine (CID 138517361) is 4-piperidin-1-yl-1-[2-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propan-2-yl]piperidine.
What is the SMILES notation for 4-piperidin-1-yl-1-[2-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propan-2-yl]piperidine?
The canonical SMILES for 4-piperidin-1-yl-1-[2-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propan-2-yl]piperidine is CC(C)N1CCC(N2CCC(C(C)(C)N3CCC(N4CCCCC4)CC3)C2)CC1.
What is the InChIKey of 4-piperidin-1-yl-1-[2-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propan-2-yl]piperidine?
The InChIKey is GUKXYKZMNQRVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48N4/c1-21(2)26-16-9-24(10-17-26)28-15-8-22(20-28)25(3,4)29-18-11-23(12-19-29)27-13-6-5-7-14-27/h21-24H,5-20H2,1-4H3.
What are the key properties of 4-piperidin-1-yl-1-[2-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propan-2-yl]piperidine?
4-piperidin-1-yl-1-[2-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propan-2-yl]piperidine has a molecular weight of 404.69 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-1-[2-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propan-2-yl]piperidine is sourced from PubChem (CID 138517361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).