(7-chlorospiro[3,4-dihydro-2H-1-benzazepine-5,1'-cyclopropane]-1-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone

C23H26ClN3O — CID 90349868

IUPAC(7-chlorospiro[3,4-dihydro-2H-1-benzazepine-5,1'-cyclopropane]-1-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone
SMILESO=C(C1CCN(c2ccccn2)CC1)N1CCCC2(CC2)c2cc(Cl)ccc21
InChIInChI=1S/C23H26ClN3O/c24-18-5-6-20-19(16-18)23(10-11-23)9-3-13-27(20)22(28)17-7-14-26(15-8-17)21-4-1-2-12-25-21/h1-2,4-6,12,16-17H,3,7-11,13-15H2
InChIKeyUJGWSTKLKNRQFH-UHFFFAOYSA-N
MW395.93 g/mol
LogP4.81
Rot. Bonds2

About (7-chlorospiro[3,4-dihydro-2H-1-benzazepine-5,1'-cyclopropane]-1-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone

(7-chlorospiro[3,4-dihydro-2H-1-benzazepine-5,1'-cyclopropane]-1-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone (PubChem CID 90349868) has the molecular formula C23H26ClN3O and a molecular weight of 395.93 g/mol. Its IUPAC name is (7-chlorospiro[3,4-dihydro-2H-1-benzazepine-5,1'-cyclopropane]-1-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(7-chlorospiro[3,4-dihydro-2H-1-benzazepine-5,1'-cyclopropane]-1-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone
PubChem CID90349868
Molecular FormulaC23H26ClN3O
Molecular Weight395.93 g/mol
Exact Mass395.18
IUPAC Name(7-chlorospiro[3,4-dihydro-2H-1-benzazepine-5,1'-cyclopropane]-1-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone
SMILESO=C(C1CCN(c2ccccn2)CC1)N1CCCC2(CC2)c2cc(Cl)ccc21
InChIInChI=1S/C23H26ClN3O/c24-18-5-6-20-19(16-18)23(10-11-23)9-3-13-27(20)22(28)17-7-14-26(15-8-17)21-4-1-2-12-25-21/h1-2,4-6,12,16-17H,3,7-11,13-15H2
InChIKeyUJGWSTKLKNRQFH-UHFFFAOYSA-N
XLogP4.81
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7-chlorospiro[3,4-dihydro-2H-1-benzazepine-5,1'-cyclopropane]-1-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone?
The IUPAC name of (7-chlorospiro[3,4-dihydro-2H-1-benzazepine-5,1'-cyclopropane]-1-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone (CID 90349868) is (7-chlorospiro[3,4-dihydro-2H-1-benzazepine-5,1'-cyclopropane]-1-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone.
What is the SMILES notation for (7-chlorospiro[3,4-dihydro-2H-1-benzazepine-5,1'-cyclopropane]-1-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone?
The canonical SMILES for (7-chlorospiro[3,4-dihydro-2H-1-benzazepine-5,1'-cyclopropane]-1-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone is O=C(C1CCN(c2ccccn2)CC1)N1CCCC2(CC2)c2cc(Cl)ccc21.
What is the InChIKey of (7-chlorospiro[3,4-dihydro-2H-1-benzazepine-5,1'-cyclopropane]-1-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone?
The InChIKey is UJGWSTKLKNRQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O/c24-18-5-6-20-19(16-18)23(10-11-23)9-3-13-27(20)22(28)17-7-14-26(15-8-17)21-4-1-2-12-25-21/h1-2,4-6,12,16-17H,3,7-11,13-15H2.
What are the key properties of (7-chlorospiro[3,4-dihydro-2H-1-benzazepine-5,1'-cyclopropane]-1-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone?
(7-chlorospiro[3,4-dihydro-2H-1-benzazepine-5,1'-cyclopropane]-1-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone has a molecular weight of 395.93 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chlorospiro[3,4-dihydro-2H-1-benzazepine-5,1'-cyclopropane]-1-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone is sourced from PubChem (CID 90349868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).