(4-morpholin-4-ylpiperidin-1-yl)-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanone

C25H28N2O2 — CID 19380970

IUPAC(4-morpholin-4-ylpiperidin-1-yl)-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanone
SMILESO=C(N1CCC(N2CCOCC2)CC1)C12CC(c3ccccc31)c1ccccc12
InChIInChI=1S/C25H28N2O2/c28-24(27-11-9-18(10-12-27)26-13-15-29-16-14-26)25-17-21(19-5-1-3-7-22(19)25)20-6-2-4-8-23(20)25/h1-8,18,21H,9-17H2
InChIKeyODWXOVCPOLESQI-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.14
Rot. Bonds2

About (4-morpholin-4-ylpiperidin-1-yl)-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanone

(4-morpholin-4-ylpiperidin-1-yl)-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanone (PubChem CID 19380970) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is (4-morpholin-4-ylpiperidin-1-yl)-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanone.

Molecular Properties

Compound Name(4-morpholin-4-ylpiperidin-1-yl)-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanone
PubChem CID19380970
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name(4-morpholin-4-ylpiperidin-1-yl)-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanone
SMILESO=C(N1CCC(N2CCOCC2)CC1)C12CC(c3ccccc31)c1ccccc12
InChIInChI=1S/C25H28N2O2/c28-24(27-11-9-18(10-12-27)26-13-15-29-16-14-26)25-17-21(19-5-1-3-7-22(19)25)20-6-2-4-8-23(20)25/h1-8,18,21H,9-17H2
InChIKeyODWXOVCPOLESQI-UHFFFAOYSA-N
XLogP3.14
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-morpholin-4-ylpiperidin-1-yl)-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanone with MolForge

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Launch Full Analysis

Related Compounds

4-[1-(1-Tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]morpholine
CID 19380978
9-(2,3-dihydro-1H-inden-1-ylcarbonyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72916747
(4-Methylpiperazin-1-yl)-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanone
CID 44295619
9-[(1R)-2,3-dihydro-1H-indene-1-carbonyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97124368
2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-morpholin-4-ylethanone
CID 97375938
2-[(1R)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-morpholin-4-ylethanone
CID 97375939
2-[1'-[(4-Fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-morpholin-4-ylethanone
CID 131659264
(5-fluoro-2,3-dihydro-1H-inden-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 138034114
4-{1-[3-(2-Methylphenyl)-3-phenylpropanoyl]-4-piperidinyl}morpholine
CID 45209622
2-(2,3-dihydro-1H-inden-5-yl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 46966402
N,N-dimethyl-2-[1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131642774
N,N-dimethyl-1-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
CID 131643150

Frequently Asked Questions

What is the IUPAC name of (4-morpholin-4-ylpiperidin-1-yl)-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanone?
The IUPAC name of (4-morpholin-4-ylpiperidin-1-yl)-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanone (CID 19380970) is (4-morpholin-4-ylpiperidin-1-yl)-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanone.
What is the SMILES notation for (4-morpholin-4-ylpiperidin-1-yl)-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanone?
The canonical SMILES for (4-morpholin-4-ylpiperidin-1-yl)-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanone is O=C(N1CCC(N2CCOCC2)CC1)C12CC(c3ccccc31)c1ccccc12.
What is the InChIKey of (4-morpholin-4-ylpiperidin-1-yl)-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanone?
The InChIKey is ODWXOVCPOLESQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c28-24(27-11-9-18(10-12-27)26-13-15-29-16-14-26)25-17-21(19-5-1-3-7-22(19)25)20-6-2-4-8-23(20)25/h1-8,18,21H,9-17H2.
What are the key properties of (4-morpholin-4-ylpiperidin-1-yl)-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanone?
(4-morpholin-4-ylpiperidin-1-yl)-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanone has a molecular weight of 388.51 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-morpholin-4-ylpiperidin-1-yl)-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanone is sourced from PubChem (CID 19380970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).