5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide

C16H26N4O — CID 120907061

IUPAC5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide
SMILESCN(C)C(=O)c1ccc(CN2CCC3(CCNCC3)C2)[nH]1
InChIInChI=1S/C16H26N4O/c1-19(2)15(21)14-4-3-13(18-14)11-20-10-7-16(12-20)5-8-17-9-6-16/h3-4,17-18H,5-12H2,1-2H3
InChIKeyKLCVKWGVDVODBN-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.29
Rot. Bonds3

About 5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide

5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 120907061) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID120907061
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide
SMILESCN(C)C(=O)c1ccc(CN2CCC3(CCNCC3)C2)[nH]1
InChIInChI=1S/C16H26N4O/c1-19(2)15(21)14-4-3-13(18-14)11-20-10-7-16(12-20)5-8-17-9-6-16/h3-4,17-18H,5-12H2,1-2H3
InChIKeyKLCVKWGVDVODBN-UHFFFAOYSA-N
XLogP1.29
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide (CID 120907061) is 5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide is CN(C)C(=O)c1ccc(CN2CCC3(CCNCC3)C2)[nH]1.
What is the InChIKey of 5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is KLCVKWGVDVODBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-19(2)15(21)14-4-3-13(18-14)11-20-10-7-16(12-20)5-8-17-9-6-16/h3-4,17-18H,5-12H2,1-2H3.
What are the key properties of 5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide?
5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 120907061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).