3-oxo-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide

C23H40N4O2 — CID 91912860

IUPAC3-oxo-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide
SMILESCC(C)N1C(=O)C2(CCCC2)C1C(=O)NCCN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C23H40N4O2/c1-18(2)27-20(23(22(27)29)10-4-5-11-23)21(28)24-12-17-25-15-8-19(9-16-25)26-13-6-3-7-14-26/h18-20H,3-17H2,1-2H3,(H,24,28)
InChIKeyYPOZRDDKNGMTRV-UHFFFAOYSA-N
MW404.60 g/mol
LogP2.23
Rot. Bonds6

About 3-oxo-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide

3-oxo-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide (PubChem CID 91912860) has the molecular formula C23H40N4O2 and a molecular weight of 404.60 g/mol. Its IUPAC name is 3-oxo-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide.

Molecular Properties

Compound Name3-oxo-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide
PubChem CID91912860
Molecular FormulaC23H40N4O2
Molecular Weight404.60 g/mol
Exact Mass404.32
IUPAC Name3-oxo-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide
SMILESCC(C)N1C(=O)C2(CCCC2)C1C(=O)NCCN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C23H40N4O2/c1-18(2)27-20(23(22(27)29)10-4-5-11-23)21(28)24-12-17-25-15-8-19(9-16-25)26-13-6-3-7-14-26/h18-20H,3-17H2,1-2H3,(H,24,28)
InChIKeyYPOZRDDKNGMTRV-UHFFFAOYSA-N
XLogP2.23
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.60
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide?
The IUPAC name of 3-oxo-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide (CID 91912860) is 3-oxo-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide.
What is the SMILES notation for 3-oxo-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide?
The canonical SMILES for 3-oxo-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide is CC(C)N1C(=O)C2(CCCC2)C1C(=O)NCCN1CCC(N2CCCCC2)CC1.
What is the InChIKey of 3-oxo-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide?
The InChIKey is YPOZRDDKNGMTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N4O2/c1-18(2)27-20(23(22(27)29)10-4-5-11-23)21(28)24-12-17-25-15-8-19(9-16-25)26-13-6-3-7-14-26/h18-20H,3-17H2,1-2H3,(H,24,28).
What are the key properties of 3-oxo-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide?
3-oxo-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide has a molecular weight of 404.60 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide is sourced from PubChem (CID 91912860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).