2-cyclopropyl-9-[(2S)-2-(dimethylamino)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one

C17H29N3O2 — CID 97156415

IUPAC2-cyclopropyl-9-[(2S)-2-(dimethylamino)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESC[C@@H](C(=O)N1CCC2(CCC(=O)N(C3CC3)C2)CC1)N(C)C
InChIInChI=1S/C17H29N3O2/c1-13(18(2)3)16(22)19-10-8-17(9-11-19)7-6-15(21)20(12-17)14-4-5-14/h13-14H,4-12H2,1-3H3/t13-/m0/s1
InChIKeyLPCOEJFVAJIBQB-ZDUSSCGKSA-N
MW307.44 g/mol
LogP1.33
Rot. Bonds3

About 2-cyclopropyl-9-[(2S)-2-(dimethylamino)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one

2-cyclopropyl-9-[(2S)-2-(dimethylamino)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97156415) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-cyclopropyl-9-[(2S)-2-(dimethylamino)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-cyclopropyl-9-[(2S)-2-(dimethylamino)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97156415
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name2-cyclopropyl-9-[(2S)-2-(dimethylamino)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESC[C@@H](C(=O)N1CCC2(CCC(=O)N(C3CC3)C2)CC1)N(C)C
InChIInChI=1S/C17H29N3O2/c1-13(18(2)3)16(22)19-10-8-17(9-11-19)7-6-15(21)20(12-17)14-4-5-14/h13-14H,4-12H2,1-3H3/t13-/m0/s1
InChIKeyLPCOEJFVAJIBQB-ZDUSSCGKSA-N
XLogP1.33
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-9-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97152093
2-cyclobutyl-9-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72858851
2-cyclopropyl-9-(2-methylpyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72900797
9-[(2R)-2-(4-chlorophenyl)-2-hydroxyacetyl]-2-cyclopentyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97113341
2-cyclopropyl-N-(2,6-dimethylphenyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 70760251
2-cyclopropyl-3-oxo-N-[(1R)-1-phenylpropyl]-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 70710449
9-(azepane-4-carbonyl)-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72923495
9-[(4R)-azepane-4-carbonyl]-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97148412
9-[(4S)-azepane-4-carbonyl]-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97148411
9-(3-chloro-5-fluorobenzoyl)-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72874255
2-cyclopentyl-9-(4-hydroxybenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72853987
2-cyclopropyl-9-[3-(1-methylpyrazol-4-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72861774

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-9-[(2S)-2-(dimethylamino)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-cyclopropyl-9-[(2S)-2-(dimethylamino)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 97156415) is 2-cyclopropyl-9-[(2S)-2-(dimethylamino)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-cyclopropyl-9-[(2S)-2-(dimethylamino)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-cyclopropyl-9-[(2S)-2-(dimethylamino)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one is C[C@@H](C(=O)N1CCC2(CCC(=O)N(C3CC3)C2)CC1)N(C)C.
What is the InChIKey of 2-cyclopropyl-9-[(2S)-2-(dimethylamino)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is LPCOEJFVAJIBQB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-13(18(2)3)16(22)19-10-8-17(9-11-19)7-6-15(21)20(12-17)14-4-5-14/h13-14H,4-12H2,1-3H3/t13-/m0/s1.
What are the key properties of 2-cyclopropyl-9-[(2S)-2-(dimethylamino)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-cyclopropyl-9-[(2S)-2-(dimethylamino)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 307.44 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-9-[(2S)-2-(dimethylamino)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97156415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).