2-[2-[4-(3-methoxyphenoxy)piperidin-1-yl]ethyl]-4,5-dihydro-3H-2-benzazepin-1-one

C24H30N2O3 — CID 134242845

IUPAC2-[2-[4-(3-methoxyphenoxy)piperidin-1-yl]ethyl]-4,5-dihydro-3H-2-benzazepin-1-one
SMILESCOc1cccc(OC2CCN(CCN3CCCc4ccccc4C3=O)CC2)c1
InChIInChI=1S/C24H30N2O3/c1-28-21-8-4-9-22(18-21)29-20-11-14-25(15-12-20)16-17-26-13-5-7-19-6-2-3-10-23(19)24(26)27/h2-4,6,8-10,18,20H,5,7,11-17H2,1H3
InChIKeyTXWZBEUBAZAQBX-UHFFFAOYSA-N
MW394.51 g/mol
LogP3.63
Rot. Bonds6

About 2-[2-[4-(3-methoxyphenoxy)piperidin-1-yl]ethyl]-4,5-dihydro-3H-2-benzazepin-1-one

2-[2-[4-(3-methoxyphenoxy)piperidin-1-yl]ethyl]-4,5-dihydro-3H-2-benzazepin-1-one (PubChem CID 134242845) has the molecular formula C24H30N2O3 and a molecular weight of 394.51 g/mol. Its IUPAC name is 2-[2-[4-(3-methoxyphenoxy)piperidin-1-yl]ethyl]-4,5-dihydro-3H-2-benzazepin-1-one.

Molecular Properties

Compound Name2-[2-[4-(3-methoxyphenoxy)piperidin-1-yl]ethyl]-4,5-dihydro-3H-2-benzazepin-1-one
PubChem CID134242845
Molecular FormulaC24H30N2O3
Molecular Weight394.51 g/mol
Exact Mass394.23
IUPAC Name2-[2-[4-(3-methoxyphenoxy)piperidin-1-yl]ethyl]-4,5-dihydro-3H-2-benzazepin-1-one
SMILESCOc1cccc(OC2CCN(CCN3CCCc4ccccc4C3=O)CC2)c1
InChIInChI=1S/C24H30N2O3/c1-28-21-8-4-9-22(18-21)29-20-11-14-25(15-12-20)16-17-26-13-5-7-19-6-2-3-10-23(19)24(26)27/h2-4,6,8-10,18,20H,5,7,11-17H2,1H3
InChIKeyTXWZBEUBAZAQBX-UHFFFAOYSA-N
XLogP3.63
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-[4-(3-methoxyphenoxy)piperidin-1-yl]ethyl]-4,5-dihydro-3H-2-benzazepin-1-one with MolForge

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Related Compounds

2-[2-[(3S)-3-(2-methoxyphenoxy)pyrrolidin-1-yl]ethyl]-3,4-dihydroisoquinolin-1-one
CID 134242858
8-chloro-2-[2-[4-(4-fluorophenoxy)piperidin-1-yl]ethyl]-4,5-dihydro-3H-2-benzazepin-1-one
CID 134231151
2-(2-cyclopropylethyl)-4,5-dihydro-3H-2-benzazepin-1-one
CID 113422912
2-(2-piperidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one
CID 115773461
2-(3-pyrrolidin-2-ylpropyl)-4,5-dihydro-3H-2-benzazepin-1-one
CID 104526005
2-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one
CID 21077961
2-(3-bromopropyl)-4,5-dihydro-3H-2-benzazepin-1-one
CID 104525155
4-(1-oxo-4,5-dihydro-3H-2-benzazepin-2-yl)butanenitrile
CID 113422827
2-[3-(tert-butylamino)propyl]-4,5-dihydro-3H-2-benzazepin-1-one
CID 104525226
3-(3-methoxyphenoxy)cyclohexan-1-one
CID 79618587
2-[(2R)-2-aminopropyl]-4,5-dihydro-3H-2-benzazepin-1-one
CID 104525202
2-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroisoquinolin-1-one
CID 115773441

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3-methoxyphenoxy)piperidin-1-yl]ethyl]-4,5-dihydro-3H-2-benzazepin-1-one?
The IUPAC name of 2-[2-[4-(3-methoxyphenoxy)piperidin-1-yl]ethyl]-4,5-dihydro-3H-2-benzazepin-1-one (CID 134242845) is 2-[2-[4-(3-methoxyphenoxy)piperidin-1-yl]ethyl]-4,5-dihydro-3H-2-benzazepin-1-one.
What is the SMILES notation for 2-[2-[4-(3-methoxyphenoxy)piperidin-1-yl]ethyl]-4,5-dihydro-3H-2-benzazepin-1-one?
The canonical SMILES for 2-[2-[4-(3-methoxyphenoxy)piperidin-1-yl]ethyl]-4,5-dihydro-3H-2-benzazepin-1-one is COc1cccc(OC2CCN(CCN3CCCc4ccccc4C3=O)CC2)c1.
What is the InChIKey of 2-[2-[4-(3-methoxyphenoxy)piperidin-1-yl]ethyl]-4,5-dihydro-3H-2-benzazepin-1-one?
The InChIKey is TXWZBEUBAZAQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-28-21-8-4-9-22(18-21)29-20-11-14-25(15-12-20)16-17-26-13-5-7-19-6-2-3-10-23(19)24(26)27/h2-4,6,8-10,18,20H,5,7,11-17H2,1H3.
What are the key properties of 2-[2-[4-(3-methoxyphenoxy)piperidin-1-yl]ethyl]-4,5-dihydro-3H-2-benzazepin-1-one?
2-[2-[4-(3-methoxyphenoxy)piperidin-1-yl]ethyl]-4,5-dihydro-3H-2-benzazepin-1-one has a molecular weight of 394.51 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3-methoxyphenoxy)piperidin-1-yl]ethyl]-4,5-dihydro-3H-2-benzazepin-1-one is sourced from PubChem (CID 134242845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).