ethane;1-[7-[(1-methylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one

C19H37N3O — CID 176968057

IUPACethane;1-[7-[(1-methylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one
SMILESCC.CCC(=O)N1CC2(CCN(CC3CCN(C)CC3)CC2)C1
InChIInChI=1S/C17H31N3O.C2H6/c1-3-16(21)20-13-17(14-20)6-10-19(11-7-17)12-15-4-8-18(2)9-5-15;1-2/h15H,3-14H2,1-2H3;1-2H3
InChIKeyNZPOZVDWSASDML-UHFFFAOYSA-N
MW323.53 g/mol
LogP2.69
Rot. Bonds3

About ethane;1-[7-[(1-methylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one

ethane;1-[7-[(1-methylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one (PubChem CID 176968057) has the molecular formula C19H37N3O and a molecular weight of 323.53 g/mol. Its IUPAC name is ethane;1-[7-[(1-methylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one.

Molecular Properties

Compound Nameethane;1-[7-[(1-methylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one
PubChem CID176968057
Molecular FormulaC19H37N3O
Molecular Weight323.53 g/mol
Exact Mass323.29
IUPAC Nameethane;1-[7-[(1-methylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one
SMILESCC.CCC(=O)N1CC2(CCN(CC3CCN(C)CC3)CC2)C1
InChIInChI=1S/C17H31N3O.C2H6/c1-3-16(21)20-13-17(14-20)6-10-19(11-7-17)12-15-4-8-18(2)9-5-15;1-2/h15H,3-14H2,1-2H3;1-2H3
InChIKeyNZPOZVDWSASDML-UHFFFAOYSA-N
XLogP2.69
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.53
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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-[4-[(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone
CID 176683765
7-[(1-ethylpiperidin-4-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane
CID 171641209
1-[7-(2-aminoethyl)-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one;ethane
CID 170592194
1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 60773954
[3-[(1-methylpiperidin-4-yl)methyl]-3-azaspiro[5.5]undecan-9-yl] acetate
CID 176694999
2-methyl-7-[(1-methylpiperidin-4-yl)methyl]-7-azaspiro[3.5]nonane
CID 167091118
ethane;6-[(1-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.4]octane
CID 171641866
1-(7-cyclopropyl-2,7-diazaspiro[3.4]octan-2-yl)propan-1-one;ethane
CID 170592365
2-cyclopropyl-1-(7-ethyl-2,7-diazaspiro[3.4]octan-2-yl)ethanone
CID 97392926
1-[4-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one
CID 129178233
1-(2-butyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one;ethane
CID 170584310

Frequently Asked Questions

What is the IUPAC name of ethane;1-[7-[(1-methylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one?
The IUPAC name of ethane;1-[7-[(1-methylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one (CID 176968057) is ethane;1-[7-[(1-methylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one.
What is the SMILES notation for ethane;1-[7-[(1-methylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one?
The canonical SMILES for ethane;1-[7-[(1-methylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one is CC.CCC(=O)N1CC2(CCN(CC3CCN(C)CC3)CC2)C1.
What is the InChIKey of ethane;1-[7-[(1-methylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one?
The InChIKey is NZPOZVDWSASDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O.C2H6/c1-3-16(21)20-13-17(14-20)6-10-19(11-7-17)12-15-4-8-18(2)9-5-15;1-2/h15H,3-14H2,1-2H3;1-2H3.
What are the key properties of ethane;1-[7-[(1-methylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one?
ethane;1-[7-[(1-methylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one has a molecular weight of 323.53 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[7-[(1-methylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one is sourced from PubChem (CID 176968057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).