N-(1-azaspiro[5.5]undecan-4-yl)-6-oxopiperidine-3-carboxamide

C16H27N3O2 — CID 83192678

IUPACN-(1-azaspiro[5.5]undecan-4-yl)-6-oxopiperidine-3-carboxamide
SMILESO=C1CCC(C(=O)NC2CCNC3(CCCCC3)C2)CN1
InChIInChI=1S/C16H27N3O2/c20-14-5-4-12(11-17-14)15(21)19-13-6-9-18-16(10-13)7-2-1-3-8-16/h12-13,18H,1-11H2,(H,17,20)(H,19,21)
InChIKeyOTBPJOUNWYPMIW-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.08
Rot. Bonds2

About N-(1-azaspiro[5.5]undecan-4-yl)-6-oxopiperidine-3-carboxamide

N-(1-azaspiro[5.5]undecan-4-yl)-6-oxopiperidine-3-carboxamide (PubChem CID 83192678) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(1-azaspiro[5.5]undecan-4-yl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-azaspiro[5.5]undecan-4-yl)-6-oxopiperidine-3-carboxamide
PubChem CID83192678
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-(1-azaspiro[5.5]undecan-4-yl)-6-oxopiperidine-3-carboxamide
SMILESO=C1CCC(C(=O)NC2CCNC3(CCCCC3)C2)CN1
InChIInChI=1S/C16H27N3O2/c20-14-5-4-12(11-17-14)15(21)19-13-6-9-18-16(10-13)7-2-1-3-8-16/h12-13,18H,1-11H2,(H,17,20)(H,19,21)
InChIKeyOTBPJOUNWYPMIW-UHFFFAOYSA-N
XLogP1.08
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-azaspiro[5.5]undecan-4-yl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-(1-azaspiro[5.5]undecan-4-yl)-6-oxopiperidine-3-carboxamide (CID 83192678) is N-(1-azaspiro[5.5]undecan-4-yl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(1-azaspiro[5.5]undecan-4-yl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(1-azaspiro[5.5]undecan-4-yl)-6-oxopiperidine-3-carboxamide is O=C1CCC(C(=O)NC2CCNC3(CCCCC3)C2)CN1.
What is the InChIKey of N-(1-azaspiro[5.5]undecan-4-yl)-6-oxopiperidine-3-carboxamide?
The InChIKey is OTBPJOUNWYPMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c20-14-5-4-12(11-17-14)15(21)19-13-6-9-18-16(10-13)7-2-1-3-8-16/h12-13,18H,1-11H2,(H,17,20)(H,19,21).
What are the key properties of N-(1-azaspiro[5.5]undecan-4-yl)-6-oxopiperidine-3-carboxamide?
N-(1-azaspiro[5.5]undecan-4-yl)-6-oxopiperidine-3-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 1.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azaspiro[5.5]undecan-4-yl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 83192678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).