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

C22H25NO — CID 18556094

IUPACpiperidin-1-yl-[(1S,8R,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-QFOJKKOJSA-N
MW319.45 g/mol
LogP4.26
Rot. Bonds1

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

piperidin-1-yl-[(1S,8R,9S,14S,15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,10,12-pentaenyl]methanone (PubChem CID 18556094) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is piperidin-1-yl-[(1S,8R,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,8R,9S,14S,15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,10,12-pentaenyl]methanone
PubChem CID18556094
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Namepiperidin-1-yl-[(1S,8R,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-QFOJKKOJSA-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,8R,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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Related Compounds

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
[(3R)-1-[(1S,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 100857908
(1R,8S,9S,14S,15R)-N-(3-methylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,10,12-pentaene-15-carboxamide
CID 18556074
(1S,8S,9S,14S,15S)-N-(2-nitrophenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,10,12-pentaene-15-carboxamide
CID 11911328
1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 84588684
1-[4-[(1S,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]-1,4-diazepan-1-yl]ethanone
CID 97093023
1,4-diazepan-1-yl-[2-(2-methylphenyl)cyclopropyl]methanone
CID 119417577
[(1S,2S)-2-(4-bromophenyl)cyclopropyl]-pyrrolidin-1-ylmethanone
CID 66796086
piperidin-1-yl-(2-thiophen-2-ylcyclopropyl)methanone
CID 110681274
[2-(azepane-1-carbonyl)cyclopropyl]-(azepan-1-yl)methanone
CID 109140675
[1-[(1R,2S)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 95179871
[1-[2-(furan-2-yl)cyclopropanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 75417680

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[(1S,8R,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,8R,9S,14S,15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,10,12-pentaenyl]methanone (CID 18556094) is piperidin-1-yl-[(1S,8R,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,8R,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,8R,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,8R,9S,14S,15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,10,12-pentaenyl]methanone?
The InChIKey is MJBJDGFKKCIXET-QFOJKKOJSA-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,8R,9S,14S,15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,10,12-pentaenyl]methanone?
piperidin-1-yl-[(1S,8R,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,8R,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 18556094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).