ethane;piperidin-4-yl-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone

C19H37N3O — CID 176934946

IUPACethane;piperidin-4-yl-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone
SMILESCC.CC(C)N1CCC2(CCN(C(=O)C3CCNCC3)CC2)C1
InChIInChI=1S/C17H31N3O.C2H6/c1-14(2)20-12-7-17(13-20)5-10-19(11-6-17)16(21)15-3-8-18-9-4-15;1-2/h14-15,18H,3-13H2,1-2H3;1-2H3
InChIKeyBUXQXAHPJXJIRK-UHFFFAOYSA-N
MW323.53 g/mol
LogP2.74
Rot. Bonds2

About ethane;piperidin-4-yl-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone

ethane;piperidin-4-yl-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone (PubChem CID 176934946) has the molecular formula C19H37N3O and a molecular weight of 323.53 g/mol. Its IUPAC name is ethane;piperidin-4-yl-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Nameethane;piperidin-4-yl-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone
PubChem CID176934946
Molecular FormulaC19H37N3O
Molecular Weight323.53 g/mol
Exact Mass323.29
IUPAC Nameethane;piperidin-4-yl-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone
SMILESCC.CC(C)N1CCC2(CCN(C(=O)C3CCNCC3)CC2)C1
InChIInChI=1S/C17H31N3O.C2H6/c1-14(2)20-12-7-17(13-20)5-10-19(11-6-17)16(21)15-3-8-18-9-4-15;1-2/h14-15,18H,3-13H2,1-2H3;1-2H3
InChIKeyBUXQXAHPJXJIRK-UHFFFAOYSA-N
XLogP2.74
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.53
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

piperidin-4-yl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103797757
(4-methylpiperidin-1-yl)-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)methanone
CID 170373750
(4-ethyl-4-methylpiperidin-1-yl)-piperidin-4-ylmethanone
CID 63160104
ethane;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone
CID 176554643
[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-piperidin-4-ylmethanone
CID 129371132
2-azaspiro[3.3]heptan-2-yl(piperidin-4-yl)methanone;hydrochloride
CID 170169563
9-[(4S)-azepane-4-carbonyl]-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97148411
9-(azepane-4-carbonyl)-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72923495
9-[(4R)-azepane-4-carbonyl]-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97148412
8-methyl-2-propan-2-yl-2-azaspiro[4.5]decane
CID 146509979
4-(piperidine-4-carbonyl)piperazine-1-carboxylic acid
CID 91186239
ethane;2-propan-2-yl-2-azaspiro[4.5]decane
CID 144877753

Frequently Asked Questions

What is the IUPAC name of ethane;piperidin-4-yl-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of ethane;piperidin-4-yl-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone (CID 176934946) is ethane;piperidin-4-yl-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for ethane;piperidin-4-yl-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for ethane;piperidin-4-yl-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone is CC.CC(C)N1CCC2(CCN(C(=O)C3CCNCC3)CC2)C1.
What is the InChIKey of ethane;piperidin-4-yl-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone?
The InChIKey is BUXQXAHPJXJIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O.C2H6/c1-14(2)20-12-7-17(13-20)5-10-19(11-6-17)16(21)15-3-8-18-9-4-15;1-2/h14-15,18H,3-13H2,1-2H3;1-2H3.
What are the key properties of ethane;piperidin-4-yl-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone?
ethane;piperidin-4-yl-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone has a molecular weight of 323.53 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;piperidin-4-yl-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 176934946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).