[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-phenylmethanone

C22H30N2O2 — CID 120984529

IUPAC[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-phenylmethanone
SMILESNC1C2CCCC1CC(C(=O)N1CCC(C(=O)c3ccccc3)CC1)C2
InChIInChI=1S/C22H30N2O2/c23-20-17-7-4-8-18(20)14-19(13-17)22(26)24-11-9-16(10-12-24)21(25)15-5-2-1-3-6-15/h1-3,5-6,16-20H,4,7-14,23H2
InChIKeyUCUHRUOFNLZXLN-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.26
Rot. Bonds3

About [1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-phenylmethanone

[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-phenylmethanone (PubChem CID 120984529) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is [1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-phenylmethanone
PubChem CID120984529
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-phenylmethanone
SMILESNC1C2CCCC1CC(C(=O)N1CCC(C(=O)c3ccccc3)CC1)C2
InChIInChI=1S/C22H30N2O2/c23-20-17-7-4-8-18(20)14-19(13-17)22(26)24-11-9-16(10-12-24)21(25)15-5-2-1-3-6-15/h1-3,5-6,16-20H,4,7-14,23H2
InChIKeyUCUHRUOFNLZXLN-UHFFFAOYSA-N
XLogP3.26
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-phenylmethanone?
The IUPAC name of [1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-phenylmethanone (CID 120984529) is [1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-phenylmethanone.
What is the SMILES notation for [1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-phenylmethanone?
The canonical SMILES for [1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-phenylmethanone is NC1C2CCCC1CC(C(=O)N1CCC(C(=O)c3ccccc3)CC1)C2.
What is the InChIKey of [1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-phenylmethanone?
The InChIKey is UCUHRUOFNLZXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c23-20-17-7-4-8-18(20)14-19(13-17)22(26)24-11-9-16(10-12-24)21(25)15-5-2-1-3-6-15/h1-3,5-6,16-20H,4,7-14,23H2.
What are the key properties of [1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-phenylmethanone?
[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-phenylmethanone has a molecular weight of 354.49 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-phenylmethanone is sourced from PubChem (CID 120984529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).