9-ethyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;2-methyl-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one;propane

C30H62N4O — CID 155739968

IUPAC9-ethyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;2-methyl-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one;propane
SMILESCC(C)C(=O)N1CCC(N(C)C(C)C)CC1.CCC.CCN1CCC2(CC1)CCN(C(C)C)CC2
InChIInChI=1S/C14H28N2.C13H26N2O.C3H8/c1-4-15-9-5-14(6-10-15)7-11-16(12-8-14)13(2)3;1-10(2)13(16)15-8-6-12(7-9-15)14(5)11(3)4;1-3-2/h13H,4-12H2,1-3H3;10-12H,6-9H2,1-5H3;3H2,1-2H3
InChIKeyLQVUJFNKZYNPEE-UHFFFAOYSA-N
MW494.85 g/mol
LogP5.98
Rot. Bonds5

About 9-ethyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;2-methyl-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one;propane

9-ethyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;2-methyl-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one;propane (PubChem CID 155739968) has the molecular formula C30H62N4O and a molecular weight of 494.85 g/mol. Its IUPAC name is 9-ethyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;2-methyl-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one;propane.

Molecular Properties

Compound Name9-ethyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;2-methyl-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one;propane
PubChem CID155739968
Molecular FormulaC30H62N4O
Molecular Weight494.85 g/mol
Exact Mass494.49
IUPAC Name9-ethyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;2-methyl-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one;propane
SMILESCC(C)C(=O)N1CCC(N(C)C(C)C)CC1.CCC.CCN1CCC2(CC1)CCN(C(C)C)CC2
InChIInChI=1S/C14H28N2.C13H26N2O.C3H8/c1-4-15-9-5-14(6-10-15)7-11-16(12-8-14)13(2)3;1-10(2)13(16)15-8-6-12(7-9-15)14(5)11(3)4;1-3-2/h13H,4-12H2,1-3H3;10-12H,6-9H2,1-5H3;3H2,1-2H3
InChIKeyLQVUJFNKZYNPEE-UHFFFAOYSA-N
XLogP5.98
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.85
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(Piperidine-1-carbonyl)-[1,4'-bipiperidin]-1'-YL]pentan-1-one
CID 42693384
[4-(dimethylamino)piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone;N,1-dimethyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine;ethane
CID 144962761
1-[4-[1-[[3,3-Difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperidin-4-yl]piperazin-1-yl]ethanone;ethane
CID 176558181
1-[4-(5,5-Difluoro-3-propyl-3,9-diazaspiro[5.5]undecan-9-yl)piperidin-1-yl]propan-1-one
CID 176558295
1-[9-[(3R,4S)-3-fluoro-1-(2-methylbutyl)piperidin-4-yl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-methylpropan-1-one
CID 176558306
Ethane;1-[4-[(9-ethyl-5,5-difluoro-3,9-diazaspiro[5.5]undecan-3-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 176558312
1-[9-[[3,3-Difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-methylpropan-1-one
CID 176558395
1-[9-[(4R)-3,3-difluoro-1-[(2S)-3-methylbutan-2-yl]piperidin-4-yl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-methylpropan-1-one
CID 176558404
1-[4-[[1-[3,3-Difluoro-1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]methyl]piperazin-1-yl]propan-1-one;ethane
CID 176558567
1-[9-[3-Fluoro-1-(2-methylpropyl)piperidin-4-yl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-methylbutan-1-one
CID 176558596
1-[9-[3,3-Difluoro-1-(2-methylpropyl)piperidin-4-yl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-methylbutan-1-one
CID 176558620
1-[9-[(3S,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one
CID 176558722

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;2-methyl-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one;propane?
The IUPAC name of 9-ethyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;2-methyl-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one;propane (CID 155739968) is 9-ethyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;2-methyl-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one;propane.
What is the SMILES notation for 9-ethyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;2-methyl-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one;propane?
The canonical SMILES for 9-ethyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;2-methyl-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one;propane is CC(C)C(=O)N1CCC(N(C)C(C)C)CC1.CCC.CCN1CCC2(CC1)CCN(C(C)C)CC2.
What is the InChIKey of 9-ethyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;2-methyl-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one;propane?
The InChIKey is LQVUJFNKZYNPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2.C13H26N2O.C3H8/c1-4-15-9-5-14(6-10-15)7-11-16(12-8-14)13(2)3;1-10(2)13(16)15-8-6-12(7-9-15)14(5)11(3)4;1-3-2/h13H,4-12H2,1-3H3;10-12H,6-9H2,1-5H3;3H2,1-2H3.
What are the key properties of 9-ethyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;2-methyl-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one;propane?
9-ethyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;2-methyl-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one;propane has a molecular weight of 494.85 g/mol, XLogP of 5.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;2-methyl-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one;propane is sourced from PubChem (CID 155739968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).