(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone

C24H27ClN2O2 — CID 118602693

IUPAC(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(C(=O)N3CCCCc4cc(Cl)ccc43)CC2)cc1
InChIInChI=1S/C24H27ClN2O2/c1-17-5-7-18(8-6-17)23(28)26-14-11-19(12-15-26)24(29)27-13-3-2-4-20-16-21(25)9-10-22(20)27/h5-10,16,19H,2-4,11-15H2,1H3
InChIKeyJEOUMCWQCALACV-UHFFFAOYSA-N
MW410.95 g/mol
LogP4.87
Rot. Bonds2

About (7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone

(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone (PubChem CID 118602693) has the molecular formula C24H27ClN2O2 and a molecular weight of 410.95 g/mol. Its IUPAC name is (7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone
PubChem CID118602693
Molecular FormulaC24H27ClN2O2
Molecular Weight410.95 g/mol
Exact Mass410.18
IUPAC Name(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(C(=O)N3CCCCc4cc(Cl)ccc43)CC2)cc1
InChIInChI=1S/C24H27ClN2O2/c1-17-5-7-18(8-6-17)23(28)26-14-11-19(12-15-26)24(29)27-13-3-2-4-20-16-21(25)9-10-22(20)27/h5-10,16,19H,2-4,11-15H2,1H3
InChIKeyJEOUMCWQCALACV-UHFFFAOYSA-N
XLogP4.87
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.95
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone with MolForge

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Related Compounds

[1-(4-fluorobenzoyl)piperidin-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 78776232
(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]methanone
CID 90350176
(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methanone
CID 90349853
[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55758048
(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1-(1H-indole-3-carbonyl)piperidin-4-yl]methanone
CID 90350036
(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1-[(3S)-3,7-dimethylbicyclo[3.3.1]nonane-1-carbonyl]piperidin-4-yl]methanone
CID 144685980
3,4-dihydro-2H-quinolin-1-yl-[1-(3-methylbenzoyl)piperidin-4-yl]methanone
CID 113006321
(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1-(5-fluoro-4-methylpyrimidin-2-yl)piperidin-4-yl]methanone
CID 90350079
(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[4-(4-methylphenyl)piperazin-1-yl]methanone
CID 118602696
(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 55661642
(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1-[4-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]methanone
CID 90350126
[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 2741000

Frequently Asked Questions

What is the IUPAC name of (7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone?
The IUPAC name of (7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone (CID 118602693) is (7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone.
What is the SMILES notation for (7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone?
The canonical SMILES for (7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone is Cc1ccc(C(=O)N2CCC(C(=O)N3CCCCc4cc(Cl)ccc43)CC2)cc1.
What is the InChIKey of (7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone?
The InChIKey is JEOUMCWQCALACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O2/c1-17-5-7-18(8-6-17)23(28)26-14-11-19(12-15-26)24(29)27-13-3-2-4-20-16-21(25)9-10-22(20)27/h5-10,16,19H,2-4,11-15H2,1H3.
What are the key properties of (7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone?
(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone has a molecular weight of 410.95 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone is sourced from PubChem (CID 118602693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).