ethane;1-[4-[4-[(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone

C27H51N3O2 — CID 176683765

IUPACethane;1-[4-[4-[(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone
SMILESCC.CC.CC(=O)C1CCC(C(=O)N2CCC(CN3CCC4(CCN(C)C4)C3)CC2)CC1
InChIInChI=1S/C23H39N3O2.2C2H6/c1-18(27)20-3-5-21(6-4-20)22(28)26-11-7-19(8-12-26)15-25-14-10-23(17-25)9-13-24(2)16-23;2*1-2/h19-21H,3-17H2,1-2H3;2*1-2H3
InChIKeyDSALIYWQGRSDNM-UHFFFAOYSA-N
MW449.72 g/mol
LogP4.70
Rot. Bonds4

About ethane;1-[4-[4-[(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone

ethane;1-[4-[4-[(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone (PubChem CID 176683765) has the molecular formula C27H51N3O2 and a molecular weight of 449.72 g/mol. Its IUPAC name is ethane;1-[4-[4-[(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone.

Molecular Properties

Compound Nameethane;1-[4-[4-[(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone
PubChem CID176683765
Molecular FormulaC27H51N3O2
Molecular Weight449.72 g/mol
Exact Mass449.40
IUPAC Nameethane;1-[4-[4-[(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone
SMILESCC.CC.CC(=O)C1CCC(C(=O)N2CCC(CN3CCC4(CCN(C)C4)C3)CC2)CC1
InChIInChI=1S/C23H39N3O2.2C2H6/c1-18(27)20-3-5-21(6-4-20)22(28)26-11-7-19(8-12-26)15-25-14-10-23(17-25)9-13-24(2)16-23;2*1-2/h19-21H,3-17H2,1-2H3;2*1-2H3
InChIKeyDSALIYWQGRSDNM-UHFFFAOYSA-N
XLogP4.70
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.72
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethane;1-[4-[4-[(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[4-[(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone
CID 176683548
ethane;1-[4-(7-methyl-2,7-diazaspiro[3.5]nonane-2-carbonyl)cyclohexyl]ethanone;yttrium
CID 176684065
ethane;1-[7-[(1-methylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one
CID 176968057
1-[4-[3-[(4-methylpiperazin-1-yl)methyl]pyrrolidine-1-carbonyl]cyclohexyl]ethanone
CID 176683929
cyclopropyl-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methanone
CID 126759987
1-[4-[4-[(4-methoxypiperidin-1-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone
CID 176683725
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
(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-(1-methylpiperidin-4-yl)methanone
CID 156836980
cyclobutyl-[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 42286380
1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone
CID 168881895
cyclopropyl-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 60773958
azetidin-1-yl-(2-methyl-2-azaspiro[3.5]nonan-7-yl)methanone;ethane
CID 145047717

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-[4-[(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone?
The IUPAC name of ethane;1-[4-[4-[(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone (CID 176683765) is ethane;1-[4-[4-[(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone.
What is the SMILES notation for ethane;1-[4-[4-[(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone?
The canonical SMILES for ethane;1-[4-[4-[(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone is CC.CC.CC(=O)C1CCC(C(=O)N2CCC(CN3CCC4(CCN(C)C4)C3)CC2)CC1.
What is the InChIKey of ethane;1-[4-[4-[(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone?
The InChIKey is DSALIYWQGRSDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N3O2.2C2H6/c1-18(27)20-3-5-21(6-4-20)22(28)26-11-7-19(8-12-26)15-25-14-10-23(17-25)9-13-24(2)16-23;2*1-2/h19-21H,3-17H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-[4-[4-[(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone?
ethane;1-[4-[4-[(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone has a molecular weight of 449.72 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-[4-[(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone is sourced from PubChem (CID 176683765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).