1-[4-[5-[1-(piperidin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]piperidine-4-carboxamide

C23H43N7O2 — CID 162965112

IUPAC1-[4-[5-[1-(piperidin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CC(C3NOC(C4CCCN4CC4CCNCC4)N3)CCN2)CC1
InChIInChI=1S/C23H43N7O2/c24-21(31)17-6-12-29(13-7-17)20-14-18(5-10-26-20)22-27-23(32-28-22)19-2-1-11-30(19)15-16-3-8-25-9-4-16/h16-20,22-23,25-28H,1-15H2,(H2,24,31)
InChIKeyBWPXZDYHECHLPA-UHFFFAOYSA-N
MW449.64 g/mol
LogP-0.25
Rot. Bonds6

About 1-[4-[5-[1-(piperidin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]piperidine-4-carboxamide

1-[4-[5-[1-(piperidin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]piperidine-4-carboxamide (PubChem CID 162965112) has the molecular formula C23H43N7O2 and a molecular weight of 449.64 g/mol. Its IUPAC name is 1-[4-[5-[1-(piperidin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-[5-[1-(piperidin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]piperidine-4-carboxamide
PubChem CID162965112
Molecular FormulaC23H43N7O2
Molecular Weight449.64 g/mol
Exact Mass449.35
IUPAC Name1-[4-[5-[1-(piperidin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CC(C3NOC(C4CCCN4CC4CCNCC4)N3)CCN2)CC1
InChIInChI=1S/C23H43N7O2/c24-21(31)17-6-12-29(13-7-17)20-14-18(5-10-26-20)22-27-23(32-28-22)19-2-1-11-30(19)15-16-3-8-25-9-4-16/h16-20,22-23,25-28H,1-15H2,(H2,24,31)
InChIKeyBWPXZDYHECHLPA-UHFFFAOYSA-N
XLogP-0.25
TPSA106.92 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.64
LogP ≤ 5-0.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 1-[4-[5-[1-(piperidin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]piperidine-4-carboxamide 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-[4-[5-[1-(piperidin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-[5-[1-(piperidin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]piperidine-4-carboxamide (CID 162965112) is 1-[4-[5-[1-(piperidin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-[5-[1-(piperidin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-[5-[1-(piperidin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]piperidine-4-carboxamide is NC(=O)C1CCN(C2CC(C3NOC(C4CCCN4CC4CCNCC4)N3)CCN2)CC1.
What is the InChIKey of 1-[4-[5-[1-(piperidin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]piperidine-4-carboxamide?
The InChIKey is BWPXZDYHECHLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43N7O2/c24-21(31)17-6-12-29(13-7-17)20-14-18(5-10-26-20)22-27-23(32-28-22)19-2-1-11-30(19)15-16-3-8-25-9-4-16/h16-20,22-23,25-28H,1-15H2,(H2,24,31).
What are the key properties of 1-[4-[5-[1-(piperidin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]piperidine-4-carboxamide?
1-[4-[5-[1-(piperidin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]piperidine-4-carboxamide has a molecular weight of 449.64 g/mol, XLogP of -0.25, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[1-(piperidin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 162965112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).