piperidin-1-yl-[(1S,8S,9S,14S,15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,10,12-pentaenyl]methanone

C22H25NO — CID 11911329

IUPACpiperidin-1-yl-[(1S,8S,9S,14S,15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,10,12-pentaenyl]methanone
SMILESO=C([C@@H]1C[C@@H]2c3ccccc3[C@H]1[C@H]1C=CC=C[C@@H]12)N1CCCCC1
InChIInChI=1S/C22H25NO/c24-22(23-12-6-1-7-13-23)20-14-19-15-8-2-4-10-17(15)21(20)18-11-5-3-9-16(18)19/h2-5,8-11,15,17,19-21H,1,6-7,12-14H2/t15-,17-,19-,20+,21+/m0/s1
InChIKeyMJBJDGFKKCIXET-QBRMMOJRSA-N
MW319.45 g/mol
LogP4.26
Rot. Bonds1

About piperidin-1-yl-[(1S,8S,9S,14S,15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,10,12-pentaenyl]methanone

piperidin-1-yl-[(1S,8S,9S,14S,15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,10,12-pentaenyl]methanone (PubChem CID 11911329) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is piperidin-1-yl-[(1S,8S,9S,14S,15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,10,12-pentaenyl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[(1S,8S,9S,14S,15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,10,12-pentaenyl]methanone
PubChem CID11911329
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Namepiperidin-1-yl-[(1S,8S,9S,14S,15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,10,12-pentaenyl]methanone
SMILESO=C([C@@H]1C[C@@H]2c3ccccc3[C@H]1[C@H]1C=CC=C[C@@H]12)N1CCCCC1
InChIInChI=1S/C22H25NO/c24-22(23-12-6-1-7-13-23)20-14-19-15-8-2-4-10-17(15)21(20)18-11-5-3-9-16(18)19/h2-5,8-11,15,17,19-21H,1,6-7,12-14H2/t15-,17-,19-,20+,21+/m0/s1
InChIKeyMJBJDGFKKCIXET-QBRMMOJRSA-N
XLogP4.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze piperidin-1-yl-[(1S,8S,9S,14S,15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,10,12-pentaenyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[(1S,8S,9S,14S,15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,10,12-pentaenyl]methanone?
The IUPAC name of piperidin-1-yl-[(1S,8S,9S,14S,15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,10,12-pentaenyl]methanone (CID 11911329) is piperidin-1-yl-[(1S,8S,9S,14S,15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,10,12-pentaenyl]methanone.
What is the SMILES notation for piperidin-1-yl-[(1S,8S,9S,14S,15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,10,12-pentaenyl]methanone?
The canonical SMILES for piperidin-1-yl-[(1S,8S,9S,14S,15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,10,12-pentaenyl]methanone is O=C([C@@H]1C[C@@H]2c3ccccc3[C@H]1[C@H]1C=CC=C[C@@H]12)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[(1S,8S,9S,14S,15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,10,12-pentaenyl]methanone?
The InChIKey is MJBJDGFKKCIXET-QBRMMOJRSA-N. The full InChI is InChI=1S/C22H25NO/c24-22(23-12-6-1-7-13-23)20-14-19-15-8-2-4-10-17(15)21(20)18-11-5-3-9-16(18)19/h2-5,8-11,15,17,19-21H,1,6-7,12-14H2/t15-,17-,19-,20+,21+/m0/s1.
What are the key properties of piperidin-1-yl-[(1S,8S,9S,14S,15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,10,12-pentaenyl]methanone?
piperidin-1-yl-[(1S,8S,9S,14S,15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,10,12-pentaenyl]methanone has a molecular weight of 319.45 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[(1S,8S,9S,14S,15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,10,12-pentaenyl]methanone is sourced from PubChem (CID 11911329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).