N,N-dimethyl-2-[(5R)-9-[(1-methylpyrrol-2-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]acetamide

C18H28N4O2 — CID 97490012

IUPACN,N-dimethyl-2-[(5R)-9-[(1-methylpyrrol-2-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]acetamide
SMILESCN(C)C(=O)CN1CC[C@@]2(CCCN(Cc3cccn3C)C2)C1=O
InChIInChI=1S/C18H28N4O2/c1-19(2)16(23)13-22-11-8-18(17(22)24)7-5-10-21(14-18)12-15-6-4-9-20(15)3/h4,6,9H,5,7-8,10-14H2,1-3H3/t18-/m1/s1
InChIKeyLSRUFXTWQMFJSJ-GOSISDBHSA-N
MW332.45 g/mol
LogP0.93
Rot. Bonds4

About N,N-dimethyl-2-[(5R)-9-[(1-methylpyrrol-2-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]acetamide

N,N-dimethyl-2-[(5R)-9-[(1-methylpyrrol-2-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]acetamide (PubChem CID 97490012) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N,N-dimethyl-2-[(5R)-9-[(1-methylpyrrol-2-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(5R)-9-[(1-methylpyrrol-2-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]acetamide
PubChem CID97490012
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN,N-dimethyl-2-[(5R)-9-[(1-methylpyrrol-2-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]acetamide
SMILESCN(C)C(=O)CN1CC[C@@]2(CCCN(Cc3cccn3C)C2)C1=O
InChIInChI=1S/C18H28N4O2/c1-19(2)16(23)13-22-11-8-18(17(22)24)7-5-10-21(14-18)12-15-6-4-9-20(15)3/h4,6,9H,5,7-8,10-14H2,1-3H3/t18-/m1/s1
InChIKeyLSRUFXTWQMFJSJ-GOSISDBHSA-N
XLogP0.93
TPSA48.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(dimethylamino)ethyl]-9-[(1-methylpyrrol-2-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 118746719
9-[(1-methylpyrrol-2-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 134075078
N,N-dimethyl-2-[8-[(1-methylpyrazol-4-yl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-2-yl]acetamide
CID 97449772
7-(cyclobutylmethyl)-2-[2-(N-methylanilino)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72903089
2-[2-(N-methylanilino)acetyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 72940304
(5S)-2-[2-(N-methylanilino)acetyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 97156605
2-(8-ethylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N,N-dimethylacetamide
CID 97370260
2-[[(2S)-6,6-dimethyl-4-[(1-methylpyrrol-2-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 129482410
7-(2-methoxyethyl)-2-[2-(N-methylanilino)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72898036
1'-[(1-methylpyrrol-2-yl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-3-one
CID 134788831
N,N-dimethyl-2-[1-oxo-8-(pyridine-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide
CID 97370254
(5R)-2,9-bis(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97371955

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(5R)-9-[(1-methylpyrrol-2-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[(5R)-9-[(1-methylpyrrol-2-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]acetamide (CID 97490012) is N,N-dimethyl-2-[(5R)-9-[(1-methylpyrrol-2-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(5R)-9-[(1-methylpyrrol-2-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(5R)-9-[(1-methylpyrrol-2-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]acetamide is CN(C)C(=O)CN1CC[C@@]2(CCCN(Cc3cccn3C)C2)C1=O.
What is the InChIKey of N,N-dimethyl-2-[(5R)-9-[(1-methylpyrrol-2-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]acetamide?
The InChIKey is LSRUFXTWQMFJSJ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-19(2)16(23)13-22-11-8-18(17(22)24)7-5-10-21(14-18)12-15-6-4-9-20(15)3/h4,6,9H,5,7-8,10-14H2,1-3H3/t18-/m1/s1.
What are the key properties of N,N-dimethyl-2-[(5R)-9-[(1-methylpyrrol-2-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]acetamide?
N,N-dimethyl-2-[(5R)-9-[(1-methylpyrrol-2-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]acetamide has a molecular weight of 332.45 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(5R)-9-[(1-methylpyrrol-2-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]acetamide is sourced from PubChem (CID 97490012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).