1'-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]-2-oxospiro[3,4-dihydro-1-benzazepine-5,4'-piperidine]-1-carboxamide

C22H29N3O2 — CID 59229685

IUPAC1'-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]-2-oxospiro[3,4-dihydro-1-benzazepine-5,4'-piperidine]-1-carboxamide
SMILESNC(=O)N1C(=O)CCC2(CCN(C3C[C@@H]4CC[C@@H]3C4)CC2)c2ccccc21
InChIInChI=1S/C22H29N3O2/c23-21(27)25-18-4-2-1-3-17(18)22(8-7-20(25)26)9-11-24(12-10-22)19-14-15-5-6-16(19)13-15/h1-4,15-16,19H,5-14H2,(H2,23,27)/t15-,16-,19?/m1/s1
InChIKeyNAIFFUKBDBYDIS-QNRNLVPOSA-N
MW367.49 g/mol
LogP3.41
Rot. Bonds1

About 1'-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]-2-oxospiro[3,4-dihydro-1-benzazepine-5,4'-piperidine]-1-carboxamide

1'-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]-2-oxospiro[3,4-dihydro-1-benzazepine-5,4'-piperidine]-1-carboxamide (PubChem CID 59229685) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1'-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]-2-oxospiro[3,4-dihydro-1-benzazepine-5,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound Name1'-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]-2-oxospiro[3,4-dihydro-1-benzazepine-5,4'-piperidine]-1-carboxamide
PubChem CID59229685
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name1'-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]-2-oxospiro[3,4-dihydro-1-benzazepine-5,4'-piperidine]-1-carboxamide
SMILESNC(=O)N1C(=O)CCC2(CCN(C3C[C@@H]4CC[C@@H]3C4)CC2)c2ccccc21
InChIInChI=1S/C22H29N3O2/c23-21(27)25-18-4-2-1-3-17(18)22(8-7-20(25)26)9-11-24(12-10-22)19-14-15-5-6-16(19)13-15/h1-4,15-16,19H,5-14H2,(H2,23,27)/t15-,16-,19?/m1/s1
InChIKeyNAIFFUKBDBYDIS-QNRNLVPOSA-N
XLogP3.41
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1'-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]-2-oxospiro[3,4-dihydro-1-benzazepine-5,4'-piperidine]-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1'-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]-2-oxospiro[3,4-dihydro-1-benzazepine-5,4'-piperidine]-1-carboxamide?
The IUPAC name of 1'-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]-2-oxospiro[3,4-dihydro-1-benzazepine-5,4'-piperidine]-1-carboxamide (CID 59229685) is 1'-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]-2-oxospiro[3,4-dihydro-1-benzazepine-5,4'-piperidine]-1-carboxamide.
What is the SMILES notation for 1'-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]-2-oxospiro[3,4-dihydro-1-benzazepine-5,4'-piperidine]-1-carboxamide?
The canonical SMILES for 1'-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]-2-oxospiro[3,4-dihydro-1-benzazepine-5,4'-piperidine]-1-carboxamide is NC(=O)N1C(=O)CCC2(CCN(C3C[C@@H]4CC[C@@H]3C4)CC2)c2ccccc21.
What is the InChIKey of 1'-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]-2-oxospiro[3,4-dihydro-1-benzazepine-5,4'-piperidine]-1-carboxamide?
The InChIKey is NAIFFUKBDBYDIS-QNRNLVPOSA-N. The full InChI is InChI=1S/C22H29N3O2/c23-21(27)25-18-4-2-1-3-17(18)22(8-7-20(25)26)9-11-24(12-10-22)19-14-15-5-6-16(19)13-15/h1-4,15-16,19H,5-14H2,(H2,23,27)/t15-,16-,19?/m1/s1.
What are the key properties of 1'-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]-2-oxospiro[3,4-dihydro-1-benzazepine-5,4'-piperidine]-1-carboxamide?
1'-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]-2-oxospiro[3,4-dihydro-1-benzazepine-5,4'-piperidine]-1-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]-2-oxospiro[3,4-dihydro-1-benzazepine-5,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 59229685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).