1-[4-[4-[(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone

C23H39N3O2 — CID 176683548

IUPAC1-[4-[4-[(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone
SMILESCC(=O)C1CCC(C(=O)N2CCC(CN3CCC4(CC3)CN(C)C4)CC2)CC1
InChIInChI=1S/C23H39N3O2/c1-18(27)20-3-5-21(6-4-20)22(28)26-11-7-19(8-12-26)15-25-13-9-23(10-14-25)16-24(2)17-23/h19-21H,3-17H2,1-2H3
InChIKeyFFDRLIOJNMLPIG-UHFFFAOYSA-N
MW389.58 g/mol
LogP2.65
Rot. Bonds4

About 1-[4-[4-[(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone

1-[4-[4-[(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone (PubChem CID 176683548) has the molecular formula C23H39N3O2 and a molecular weight of 389.58 g/mol. Its IUPAC name is 1-[4-[4-[(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone
PubChem CID176683548
Molecular FormulaC23H39N3O2
Molecular Weight389.58 g/mol
Exact Mass389.30
IUPAC Name1-[4-[4-[(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone
SMILESCC(=O)C1CCC(C(=O)N2CCC(CN3CCC4(CC3)CN(C)C4)CC2)CC1
InChIInChI=1S/C23H39N3O2/c1-18(27)20-3-5-21(6-4-20)22(28)26-11-7-19(8-12-26)15-25-13-9-23(10-14-25)16-24(2)17-23/h19-21H,3-17H2,1-2H3
InChIKeyFFDRLIOJNMLPIG-UHFFFAOYSA-N
XLogP2.65
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.58
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[4-[(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone with MolForge

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Related Compounds

ethane;1-[4-[4-[(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone
CID 176683765
1-[4-[3-[(4-methylpiperazin-1-yl)methyl]pyrrolidine-1-carbonyl]cyclohexyl]ethanone
CID 176683929
1-[4-[4-[(4-methoxypiperidin-1-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone
CID 176683725
ethane;1-[7-[(1-methylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one
CID 176968057
ethane;1-[4-(7-methyl-2,7-diazaspiro[3.5]nonane-2-carbonyl)cyclohexyl]ethanone;yttrium
CID 176684065
(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-(1-methylpiperidin-4-yl)methanone
CID 156836980
cyclopropyl-[2-[(2,7-dimethyl-2,7-diazaspiro[3.5]nonan-6-yl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]methanone
CID 166713395
7-[(1-ethylpiperidin-4-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane
CID 171641209
1-(2-methyl-2-azaspiro[3.5]nonan-7-yl)ethanone
CID 154988241
cyclopropyl-[4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone
CID 91919810
cyclopropyl-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methanone
CID 126759987
1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone
CID 168881895

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone?
The IUPAC name of 1-[4-[4-[(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone (CID 176683548) is 1-[4-[4-[(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone.
What is the SMILES notation for 1-[4-[4-[(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone?
The canonical SMILES for 1-[4-[4-[(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone is CC(=O)C1CCC(C(=O)N2CCC(CN3CCC4(CC3)CN(C)C4)CC2)CC1.
What is the InChIKey of 1-[4-[4-[(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone?
The InChIKey is FFDRLIOJNMLPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N3O2/c1-18(27)20-3-5-21(6-4-20)22(28)26-11-7-19(8-12-26)15-25-13-9-23(10-14-25)16-24(2)17-23/h19-21H,3-17H2,1-2H3.
What are the key properties of 1-[4-[4-[(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone?
1-[4-[4-[(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone has a molecular weight of 389.58 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone is sourced from PubChem (CID 176683548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).