1-[9-[(4-methylpiperidin-1-yl)methyl]-3-azaspiro[5.5]undecan-3-yl]ethanone

C19H34N2O — CID 174195325

IUPAC1-[9-[(4-methylpiperidin-1-yl)methyl]-3-azaspiro[5.5]undecan-3-yl]ethanone
SMILESCC(=O)N1CCC2(CCC(CN3CCC(C)CC3)CC2)CC1
InChIInChI=1S/C19H34N2O/c1-16-5-11-20(12-6-16)15-18-3-7-19(8-4-18)9-13-21(14-10-19)17(2)22/h16,18H,3-15H2,1-2H3
InChIKeyOBQVZHJNXRUTNK-UHFFFAOYSA-N
MW306.49 g/mol
LogP3.54
Rot. Bonds2

About 1-[9-[(4-methylpiperidin-1-yl)methyl]-3-azaspiro[5.5]undecan-3-yl]ethanone

1-[9-[(4-methylpiperidin-1-yl)methyl]-3-azaspiro[5.5]undecan-3-yl]ethanone (PubChem CID 174195325) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is 1-[9-[(4-methylpiperidin-1-yl)methyl]-3-azaspiro[5.5]undecan-3-yl]ethanone.

Molecular Properties

Compound Name1-[9-[(4-methylpiperidin-1-yl)methyl]-3-azaspiro[5.5]undecan-3-yl]ethanone
PubChem CID174195325
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC Name1-[9-[(4-methylpiperidin-1-yl)methyl]-3-azaspiro[5.5]undecan-3-yl]ethanone
SMILESCC(=O)N1CCC2(CCC(CN3CCC(C)CC3)CC2)CC1
InChIInChI=1S/C19H34N2O/c1-16-5-11-20(12-6-16)15-18-3-7-19(8-4-18)9-13-21(14-10-19)17(2)22/h16,18H,3-15H2,1-2H3
InChIKeyOBQVZHJNXRUTNK-UHFFFAOYSA-N
XLogP3.54
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[9-[4-(4-methylpiperidin-1-yl)butyl]-3,9-diazaspiro[5.5]undecan-3-yl]ethanone
CID 174255098
7-[(4-methylpiperidin-1-yl)methyl]-2-sulfanyl-2-azaspiro[3.5]nonane
CID 167251119
1-(cyclopropylmethyl)-4-methylpiperidine
CID 54039585
1-[2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]ethanone
CID 176559306
2-[3-(cyclohexylmethyl)-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone
CID 155872635
ethane;methane;4-methyl-1-[(4-methylcyclohexyl)methyl]piperidine
CID 167474854
9-(4-methylpiperidin-1-yl)-3-(piperidin-4-ylmethyl)-3-azaspiro[5.5]undecane
CID 175622855
1-[8-(aminomethyl)-2-azaspiro[4.4]nonan-2-yl]ethanone
CID 71628998
1-[4-[4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carbonyl]phenyl]ethanone
CID 176683805
[3-[(1-methylpiperidin-4-yl)methyl]-3-azaspiro[5.5]undecan-9-yl] acetate
CID 176694999
2-(2-acetyl-2-azaspiro[4.4]nonan-8-yl)acetic acid
CID 166000231
1-[7-(4-methylpiperidin-1-yl)-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 176968361

Frequently Asked Questions

What is the IUPAC name of 1-[9-[(4-methylpiperidin-1-yl)methyl]-3-azaspiro[5.5]undecan-3-yl]ethanone?
The IUPAC name of 1-[9-[(4-methylpiperidin-1-yl)methyl]-3-azaspiro[5.5]undecan-3-yl]ethanone (CID 174195325) is 1-[9-[(4-methylpiperidin-1-yl)methyl]-3-azaspiro[5.5]undecan-3-yl]ethanone.
What is the SMILES notation for 1-[9-[(4-methylpiperidin-1-yl)methyl]-3-azaspiro[5.5]undecan-3-yl]ethanone?
The canonical SMILES for 1-[9-[(4-methylpiperidin-1-yl)methyl]-3-azaspiro[5.5]undecan-3-yl]ethanone is CC(=O)N1CCC2(CCC(CN3CCC(C)CC3)CC2)CC1.
What is the InChIKey of 1-[9-[(4-methylpiperidin-1-yl)methyl]-3-azaspiro[5.5]undecan-3-yl]ethanone?
The InChIKey is OBQVZHJNXRUTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O/c1-16-5-11-20(12-6-16)15-18-3-7-19(8-4-18)9-13-21(14-10-19)17(2)22/h16,18H,3-15H2,1-2H3.
What are the key properties of 1-[9-[(4-methylpiperidin-1-yl)methyl]-3-azaspiro[5.5]undecan-3-yl]ethanone?
1-[9-[(4-methylpiperidin-1-yl)methyl]-3-azaspiro[5.5]undecan-3-yl]ethanone has a molecular weight of 306.49 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-[(4-methylpiperidin-1-yl)methyl]-3-azaspiro[5.5]undecan-3-yl]ethanone is sourced from PubChem (CID 174195325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).