2-[2-oxo-2-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-2-azaspiro[4.6]undecan-3-one

C23H39N3O2 — CID 45251222

IUPAC2-[2-oxo-2-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-2-azaspiro[4.6]undecan-3-one
SMILESCC(C1CCN(C(=O)CN2CC3(CCCCCC3)CC2=O)CC1)N1CCCC1
InChIInChI=1S/C23H39N3O2/c1-19(24-12-6-7-13-24)20-8-14-25(15-9-20)22(28)17-26-18-23(16-21(26)27)10-4-2-3-5-11-23/h19-20H,2-18H2,1H3
InChIKeySAFWEGHSHYMYQP-UHFFFAOYSA-N
MW389.58 g/mol
LogP3.28
Rot. Bonds4

About 2-[2-oxo-2-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-2-azaspiro[4.6]undecan-3-one

2-[2-oxo-2-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-2-azaspiro[4.6]undecan-3-one (PubChem CID 45251222) has the molecular formula C23H39N3O2 and a molecular weight of 389.58 g/mol. Its IUPAC name is 2-[2-oxo-2-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-2-azaspiro[4.6]undecan-3-one.

Molecular Properties

Compound Name2-[2-oxo-2-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-2-azaspiro[4.6]undecan-3-one
PubChem CID45251222
Molecular FormulaC23H39N3O2
Molecular Weight389.58 g/mol
Exact Mass389.30
IUPAC Name2-[2-oxo-2-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-2-azaspiro[4.6]undecan-3-one
SMILESCC(C1CCN(C(=O)CN2CC3(CCCCCC3)CC2=O)CC1)N1CCCC1
InChIInChI=1S/C23H39N3O2/c1-19(24-12-6-7-13-24)20-8-14-25(15-9-20)22(28)17-26-18-23(16-21(26)27)10-4-2-3-5-11-23/h19-20H,2-18H2,1H3
InChIKeySAFWEGHSHYMYQP-UHFFFAOYSA-N
XLogP3.28
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.58
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-2-azaspiro[4.6]undecan-3-one?
The IUPAC name of 2-[2-oxo-2-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-2-azaspiro[4.6]undecan-3-one (CID 45251222) is 2-[2-oxo-2-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-2-azaspiro[4.6]undecan-3-one.
What is the SMILES notation for 2-[2-oxo-2-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-2-azaspiro[4.6]undecan-3-one?
The canonical SMILES for 2-[2-oxo-2-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-2-azaspiro[4.6]undecan-3-one is CC(C1CCN(C(=O)CN2CC3(CCCCCC3)CC2=O)CC1)N1CCCC1.
What is the InChIKey of 2-[2-oxo-2-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-2-azaspiro[4.6]undecan-3-one?
The InChIKey is SAFWEGHSHYMYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N3O2/c1-19(24-12-6-7-13-24)20-8-14-25(15-9-20)22(28)17-26-18-23(16-21(26)27)10-4-2-3-5-11-23/h19-20H,2-18H2,1H3.
What are the key properties of 2-[2-oxo-2-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-2-azaspiro[4.6]undecan-3-one?
2-[2-oxo-2-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-2-azaspiro[4.6]undecan-3-one has a molecular weight of 389.58 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-2-azaspiro[4.6]undecan-3-one is sourced from PubChem (CID 45251222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).