N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-cyclobutyl-N-[(1-methylimidazol-2-yl)methyl]acetamide

C18H28N4O — CID 129466296

IUPACN-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-cyclobutyl-N-[(1-methylimidazol-2-yl)methyl]acetamide
SMILESCn1ccnc1CN(C(=O)CC1CCC1)[C@@H]1CC12CCNCC2
InChIInChI=1S/C18H28N4O/c1-21-10-9-20-16(21)13-22(17(23)11-14-3-2-4-14)15-12-18(15)5-7-19-8-6-18/h9-10,14-15,19H,2-8,11-13H2,1H3/t15-/m1/s1
InChIKeyNLGXLCQXFWKHNI-OAHLLOKOSA-N
MW316.45 g/mol
LogP2.08
Rot. Bonds5

About N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-cyclobutyl-N-[(1-methylimidazol-2-yl)methyl]acetamide

N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-cyclobutyl-N-[(1-methylimidazol-2-yl)methyl]acetamide (PubChem CID 129466296) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-cyclobutyl-N-[(1-methylimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-cyclobutyl-N-[(1-methylimidazol-2-yl)methyl]acetamide
PubChem CID129466296
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC NameN-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-cyclobutyl-N-[(1-methylimidazol-2-yl)methyl]acetamide
SMILESCn1ccnc1CN(C(=O)CC1CCC1)[C@@H]1CC12CCNCC2
InChIInChI=1S/C18H28N4O/c1-21-10-9-20-16(21)13-22(17(23)11-14-3-2-4-14)15-12-18(15)5-7-19-8-6-18/h9-10,14-15,19H,2-8,11-13H2,1H3/t15-/m1/s1
InChIKeyNLGXLCQXFWKHNI-OAHLLOKOSA-N
XLogP2.08
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfanylpropanamide
CID 129466658
N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrrole-3-carboxamide
CID 167951472
N-[(2R)-6-azaspiro[2.5]octan-2-yl]-3-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide
CID 129466442
(2R)-2-amino-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-[(1-methylimidazol-2-yl)methyl]pentanamide
CID 129350140
N-(6-azaspiro[2.5]octan-2-yl)-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridine-4-carboxamide
CID 154814695
N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-chloro-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
CID 129475917
(2S)-N-[(1-methylimidazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)-6-azaspiro[2.5]octan-2-amine
CID 129352549
N-[[4-(cyclopropylmethoxy)phenyl]methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine
CID 120845188
N-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine
CID 120845248
N-(6-azaspiro[2.5]octan-2-yl)-4-chloro-N-[(1-ethylimidazol-2-yl)methyl]-1-methylpyrrole-2-carboxamide;hydrochloride
CID 128992326
N-[2-[6-azaspiro[2.5]octan-2-yl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]ethanesulfonamide;hydrochloride
CID 154753859
2-(azetidin-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 64612010

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-cyclobutyl-N-[(1-methylimidazol-2-yl)methyl]acetamide?
The IUPAC name of N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-cyclobutyl-N-[(1-methylimidazol-2-yl)methyl]acetamide (CID 129466296) is N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-cyclobutyl-N-[(1-methylimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-cyclobutyl-N-[(1-methylimidazol-2-yl)methyl]acetamide?
The canonical SMILES for N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-cyclobutyl-N-[(1-methylimidazol-2-yl)methyl]acetamide is Cn1ccnc1CN(C(=O)CC1CCC1)[C@@H]1CC12CCNCC2.
What is the InChIKey of N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-cyclobutyl-N-[(1-methylimidazol-2-yl)methyl]acetamide?
The InChIKey is NLGXLCQXFWKHNI-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H28N4O/c1-21-10-9-20-16(21)13-22(17(23)11-14-3-2-4-14)15-12-18(15)5-7-19-8-6-18/h9-10,14-15,19H,2-8,11-13H2,1H3/t15-/m1/s1.
What are the key properties of N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-cyclobutyl-N-[(1-methylimidazol-2-yl)methyl]acetamide?
N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-cyclobutyl-N-[(1-methylimidazol-2-yl)methyl]acetamide has a molecular weight of 316.45 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-cyclobutyl-N-[(1-methylimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 129466296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).