N,N-dimethyl-2-[9-(5-methylpyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide

C17H27N5O — CID 118742687

IUPACN,N-dimethyl-2-[9-(5-methylpyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide
SMILESCc1cnc(N2CCCC3(CCCN3CC(=O)N(C)C)C2)nc1
InChIInChI=1S/C17H27N5O/c1-14-10-18-16(19-11-14)21-8-4-6-17(13-21)7-5-9-22(17)12-15(23)20(2)3/h10-11H,4-9,12-13H2,1-3H3
InChIKeyMLZAXIHRBSHTLB-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.31
Rot. Bonds3

About N,N-dimethyl-2-[9-(5-methylpyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide

N,N-dimethyl-2-[9-(5-methylpyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide (PubChem CID 118742687) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is N,N-dimethyl-2-[9-(5-methylpyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[9-(5-methylpyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide
PubChem CID118742687
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC NameN,N-dimethyl-2-[9-(5-methylpyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide
SMILESCc1cnc(N2CCCC3(CCCN3CC(=O)N(C)C)C2)nc1
InChIInChI=1S/C17H27N5O/c1-14-10-18-16(19-11-14)21-8-4-6-17(13-21)7-5-9-22(17)12-15(23)20(2)3/h10-11H,4-9,12-13H2,1-3H3
InChIKeyMLZAXIHRBSHTLB-UHFFFAOYSA-N
XLogP1.31
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[9-(5-methylpyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[9-(5-methylpyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide (CID 118742687) is N,N-dimethyl-2-[9-(5-methylpyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[9-(5-methylpyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[9-(5-methylpyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide is Cc1cnc(N2CCCC3(CCCN3CC(=O)N(C)C)C2)nc1.
What is the InChIKey of N,N-dimethyl-2-[9-(5-methylpyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide?
The InChIKey is MLZAXIHRBSHTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-14-10-18-16(19-11-14)21-8-4-6-17(13-21)7-5-9-22(17)12-15(23)20(2)3/h10-11H,4-9,12-13H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[9-(5-methylpyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide?
N,N-dimethyl-2-[9-(5-methylpyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide has a molecular weight of 317.44 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[9-(5-methylpyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide is sourced from PubChem (CID 118742687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).