1-[9-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-azaspiro[5.5]undecan-3-yl]ethanone

C21H38N2O — CID 174195646

IUPAC1-[9-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-azaspiro[5.5]undecan-3-yl]ethanone
SMILESCC(=O)N1CCC2(CCC(CN3CCC(C(C)C)CC3)CC2)CC1
InChIInChI=1S/C21H38N2O/c1-17(2)20-6-12-22(13-7-20)16-19-4-8-21(9-5-19)10-14-23(15-11-21)18(3)24/h17,19-20H,4-16H2,1-3H3
InChIKeyFCGUZFZWPGIBRD-UHFFFAOYSA-N
MW334.55 g/mol
LogP4.17
Rot. Bonds3

About 1-[9-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-azaspiro[5.5]undecan-3-yl]ethanone

1-[9-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-azaspiro[5.5]undecan-3-yl]ethanone (PubChem CID 174195646) has the molecular formula C21H38N2O and a molecular weight of 334.55 g/mol. Its IUPAC name is 1-[9-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-azaspiro[5.5]undecan-3-yl]ethanone.

Molecular Properties

Compound Name1-[9-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-azaspiro[5.5]undecan-3-yl]ethanone
PubChem CID174195646
Molecular FormulaC21H38N2O
Molecular Weight334.55 g/mol
Exact Mass334.30
IUPAC Name1-[9-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-azaspiro[5.5]undecan-3-yl]ethanone
SMILESCC(=O)N1CCC2(CCC(CN3CCC(C(C)C)CC3)CC2)CC1
InChIInChI=1S/C21H38N2O/c1-17(2)20-6-12-22(13-7-20)16-19-4-8-21(9-5-19)10-14-23(15-11-21)18(3)24/h17,19-20H,4-16H2,1-3H3
InChIKeyFCGUZFZWPGIBRD-UHFFFAOYSA-N
XLogP4.17
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.55
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[9-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-azaspiro[5.5]undecan-3-yl]ethanone?
The IUPAC name of 1-[9-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-azaspiro[5.5]undecan-3-yl]ethanone (CID 174195646) is 1-[9-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-azaspiro[5.5]undecan-3-yl]ethanone.
What is the SMILES notation for 1-[9-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-azaspiro[5.5]undecan-3-yl]ethanone?
The canonical SMILES for 1-[9-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-azaspiro[5.5]undecan-3-yl]ethanone is CC(=O)N1CCC2(CCC(CN3CCC(C(C)C)CC3)CC2)CC1.
What is the InChIKey of 1-[9-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-azaspiro[5.5]undecan-3-yl]ethanone?
The InChIKey is FCGUZFZWPGIBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2O/c1-17(2)20-6-12-22(13-7-20)16-19-4-8-21(9-5-19)10-14-23(15-11-21)18(3)24/h17,19-20H,4-16H2,1-3H3.
What are the key properties of 1-[9-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-azaspiro[5.5]undecan-3-yl]ethanone?
1-[9-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-azaspiro[5.5]undecan-3-yl]ethanone has a molecular weight of 334.55 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-azaspiro[5.5]undecan-3-yl]ethanone is sourced from PubChem (CID 174195646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).