1'-methyl-N-propylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-carboxamide

C18H27N3O2 — CID 91909077

IUPAC1'-methyl-N-propylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-carboxamide
SMILESCCCNC(=O)N1Cc2ccccc2OC2(CCN(C)CC2)C1
InChIInChI=1S/C18H27N3O2/c1-3-10-19-17(22)21-13-15-6-4-5-7-16(15)23-18(14-21)8-11-20(2)12-9-18/h4-7H,3,8-14H2,1-2H3,(H,19,22)
InChIKeyFPCGYBGEPGTAPZ-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.46
Rot. Bonds2

About 1'-methyl-N-propylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-carboxamide

1'-methyl-N-propylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-carboxamide (PubChem CID 91909077) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1'-methyl-N-propylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-carboxamide.

Molecular Properties

Compound Name1'-methyl-N-propylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-carboxamide
PubChem CID91909077
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1'-methyl-N-propylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-carboxamide
SMILESCCCNC(=O)N1Cc2ccccc2OC2(CCN(C)CC2)C1
InChIInChI=1S/C18H27N3O2/c1-3-10-19-17(22)21-13-15-6-4-5-7-16(15)23-18(14-21)8-11-20(2)12-9-18/h4-7H,3,8-14H2,1-2H3,(H,19,22)
InChIKeyFPCGYBGEPGTAPZ-UHFFFAOYSA-N
XLogP2.46
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-methyl-N-propylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-carboxamide?
The IUPAC name of 1'-methyl-N-propylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-carboxamide (CID 91909077) is 1'-methyl-N-propylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-carboxamide.
What is the SMILES notation for 1'-methyl-N-propylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-carboxamide?
The canonical SMILES for 1'-methyl-N-propylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-carboxamide is CCCNC(=O)N1Cc2ccccc2OC2(CCN(C)CC2)C1.
What is the InChIKey of 1'-methyl-N-propylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-carboxamide?
The InChIKey is FPCGYBGEPGTAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-3-10-19-17(22)21-13-15-6-4-5-7-16(15)23-18(14-21)8-11-20(2)12-9-18/h4-7H,3,8-14H2,1-2H3,(H,19,22).
What are the key properties of 1'-methyl-N-propylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-carboxamide?
1'-methyl-N-propylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methyl-N-propylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-carboxamide is sourced from PubChem (CID 91909077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).