(3R)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

C21H35N5O — CID 95877248

IUPAC(3R)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCN1CC2(CCN(C)CC2)C[C@@H]1C(=O)NCCc1nc(C)cc(C)n1
InChIInChI=1S/C21H35N5O/c1-5-10-26-15-21(7-11-25(4)12-8-21)14-18(26)20(27)22-9-6-19-23-16(2)13-17(3)24-19/h13,18H,5-12,14-15H2,1-4H3,(H,22,27)/t18-/m1/s1
InChIKeyRBPSNJXWFRAHNE-GOSISDBHSA-N
MW373.55 g/mol
LogP1.95
Rot. Bonds6

About (3R)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

(3R)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 95877248) has the molecular formula C21H35N5O and a molecular weight of 373.55 g/mol. Its IUPAC name is (3R)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID95877248
Molecular FormulaC21H35N5O
Molecular Weight373.55 g/mol
Exact Mass373.28
IUPAC Name(3R)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCN1CC2(CCN(C)CC2)C[C@@H]1C(=O)NCCc1nc(C)cc(C)n1
InChIInChI=1S/C21H35N5O/c1-5-10-26-15-21(7-11-25(4)12-8-21)14-18(26)20(27)22-9-6-19-23-16(2)13-17(3)24-19/h13,18H,5-12,14-15H2,1-4H3,(H,22,27)/t18-/m1/s1
InChIKeyRBPSNJXWFRAHNE-GOSISDBHSA-N
XLogP1.95
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.55
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-8-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95874847
(3R)-8-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95874846
(3R)-8-methyl-N-(2-phenylethyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95892201
(3R)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95873402
8-methyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56903525
(3S)-N-[2-(4-chlorophenyl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95895188
(3R)-N-[2-(4-chlorophenyl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95895187
(3S)-8-methyl-2-propyl-N-(2-pyridin-3-ylethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95895228
N-[2-(furan-2-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56884229
8-methyl-2-propyl-N-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56911452
(3S)-N-[3-(furan-2-yl)propyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95894412
(3R)-8-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95874939

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3R)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 95877248) is (3R)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide is CCCN1CC2(CCN(C)CC2)C[C@@H]1C(=O)NCCc1nc(C)cc(C)n1.
What is the InChIKey of (3R)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is RBPSNJXWFRAHNE-GOSISDBHSA-N. The full InChI is InChI=1S/C21H35N5O/c1-5-10-26-15-21(7-11-25(4)12-8-21)14-18(26)20(27)22-9-6-19-23-16(2)13-17(3)24-19/h13,18H,5-12,14-15H2,1-4H3,(H,22,27)/t18-/m1/s1.
What are the key properties of (3R)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
(3R)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 373.55 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 95877248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).