N-cyclopentyl-2-(1',7-dimethyl-5-oxospiro[3H-1,4-benzoxazepine-2,4'-piperidine]-4-yl)propanamide

C23H33N3O3 — CID 110213291

IUPACN-cyclopentyl-2-(1',7-dimethyl-5-oxospiro[3H-1,4-benzoxazepine-2,4'-piperidine]-4-yl)propanamide
SMILESCc1ccc2c(c1)C(=O)N(C(C)C(=O)NC1CCCC1)CC1(CCN(C)CC1)O2
InChIInChI=1S/C23H33N3O3/c1-16-8-9-20-19(14-16)22(28)26(15-23(29-20)10-12-25(3)13-11-23)17(2)21(27)24-18-6-4-5-7-18/h8-9,14,17-18H,4-7,10-13,15H2,1-3H3,(H,24,27)
InChIKeyRLXNOCMDVMBPEF-UHFFFAOYSA-N
MW399.54 g/mol
LogP2.74
Rot. Bonds3

About N-cyclopentyl-2-(1',7-dimethyl-5-oxospiro[3H-1,4-benzoxazepine-2,4'-piperidine]-4-yl)propanamide

N-cyclopentyl-2-(1',7-dimethyl-5-oxospiro[3H-1,4-benzoxazepine-2,4'-piperidine]-4-yl)propanamide (PubChem CID 110213291) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is N-cyclopentyl-2-(1',7-dimethyl-5-oxospiro[3H-1,4-benzoxazepine-2,4'-piperidine]-4-yl)propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(1',7-dimethyl-5-oxospiro[3H-1,4-benzoxazepine-2,4'-piperidine]-4-yl)propanamide
PubChem CID110213291
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC NameN-cyclopentyl-2-(1',7-dimethyl-5-oxospiro[3H-1,4-benzoxazepine-2,4'-piperidine]-4-yl)propanamide
SMILESCc1ccc2c(c1)C(=O)N(C(C)C(=O)NC1CCCC1)CC1(CCN(C)CC1)O2
InChIInChI=1S/C23H33N3O3/c1-16-8-9-20-19(14-16)22(28)26(15-23(29-20)10-12-25(3)13-11-23)17(2)21(27)24-18-6-4-5-7-18/h8-9,14,17-18H,4-7,10-13,15H2,1-3H3,(H,24,27)
InChIKeyRLXNOCMDVMBPEF-UHFFFAOYSA-N
XLogP2.74
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(1',7-dimethyl-5-oxospiro[3H-1,4-benzoxazepine-2,4'-piperidine]-4-yl)propanamide?
The IUPAC name of N-cyclopentyl-2-(1',7-dimethyl-5-oxospiro[3H-1,4-benzoxazepine-2,4'-piperidine]-4-yl)propanamide (CID 110213291) is N-cyclopentyl-2-(1',7-dimethyl-5-oxospiro[3H-1,4-benzoxazepine-2,4'-piperidine]-4-yl)propanamide.
What is the SMILES notation for N-cyclopentyl-2-(1',7-dimethyl-5-oxospiro[3H-1,4-benzoxazepine-2,4'-piperidine]-4-yl)propanamide?
The canonical SMILES for N-cyclopentyl-2-(1',7-dimethyl-5-oxospiro[3H-1,4-benzoxazepine-2,4'-piperidine]-4-yl)propanamide is Cc1ccc2c(c1)C(=O)N(C(C)C(=O)NC1CCCC1)CC1(CCN(C)CC1)O2.
What is the InChIKey of N-cyclopentyl-2-(1',7-dimethyl-5-oxospiro[3H-1,4-benzoxazepine-2,4'-piperidine]-4-yl)propanamide?
The InChIKey is RLXNOCMDVMBPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-16-8-9-20-19(14-16)22(28)26(15-23(29-20)10-12-25(3)13-11-23)17(2)21(27)24-18-6-4-5-7-18/h8-9,14,17-18H,4-7,10-13,15H2,1-3H3,(H,24,27).
What are the key properties of N-cyclopentyl-2-(1',7-dimethyl-5-oxospiro[3H-1,4-benzoxazepine-2,4'-piperidine]-4-yl)propanamide?
N-cyclopentyl-2-(1',7-dimethyl-5-oxospiro[3H-1,4-benzoxazepine-2,4'-piperidine]-4-yl)propanamide has a molecular weight of 399.54 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(1',7-dimethyl-5-oxospiro[3H-1,4-benzoxazepine-2,4'-piperidine]-4-yl)propanamide is sourced from PubChem (CID 110213291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).