2-amino-2-methyl-N-[(2R)-1-oxo-1-(3-oxospiro[2H-indene-1,4'-piperidine]-1'-yl)-3-phenylmethoxypropan-2-yl]propanamide;hydrochloride

C27H34ClN3O4 — CID 22867315

IUPAC2-amino-2-methyl-N-[(2R)-1-oxo-1-(3-oxospiro[2H-indene-1,4'-piperidine]-1'-yl)-3-phenylmethoxypropan-2-yl]propanamide;hydrochloride
SMILESCC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)CC(=O)c1ccccc12.Cl
InChIInChI=1S/C27H33N3O4.ClH/c1-26(2,28)25(33)29-22(18-34-17-19-8-4-3-5-9-19)24(32)30-14-12-27(13-15-30)16-23(31)20-10-6-7-11-21(20)27;/h3-11,22H,12-18,28H2,1-2H3,(H,29,33);1H/t22-;/m1./s1
InChIKeyVQCZNEZTOUBFQZ-VZYDHVRKSA-N
MW500.04 g/mol
LogP2.99
Rot. Bonds7

About 2-amino-2-methyl-N-[(2R)-1-oxo-1-(3-oxospiro[2H-indene-1,4'-piperidine]-1'-yl)-3-phenylmethoxypropan-2-yl]propanamide;hydrochloride

2-amino-2-methyl-N-[(2R)-1-oxo-1-(3-oxospiro[2H-indene-1,4'-piperidine]-1'-yl)-3-phenylmethoxypropan-2-yl]propanamide;hydrochloride (PubChem CID 22867315) has the molecular formula C27H34ClN3O4 and a molecular weight of 500.04 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[(2R)-1-oxo-1-(3-oxospiro[2H-indene-1,4'-piperidine]-1'-yl)-3-phenylmethoxypropan-2-yl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-N-[(2R)-1-oxo-1-(3-oxospiro[2H-indene-1,4'-piperidine]-1'-yl)-3-phenylmethoxypropan-2-yl]propanamide;hydrochloride
PubChem CID22867315
Molecular FormulaC27H34ClN3O4
Molecular Weight500.04 g/mol
Exact Mass499.22
IUPAC Name2-amino-2-methyl-N-[(2R)-1-oxo-1-(3-oxospiro[2H-indene-1,4'-piperidine]-1'-yl)-3-phenylmethoxypropan-2-yl]propanamide;hydrochloride
SMILESCC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)CC(=O)c1ccccc12.Cl
InChIInChI=1S/C27H33N3O4.ClH/c1-26(2,28)25(33)29-22(18-34-17-19-8-4-3-5-9-19)24(32)30-14-12-27(13-15-30)16-23(31)20-10-6-7-11-21(20)27;/h3-11,22H,12-18,28H2,1-2H3,(H,29,33);1H/t22-;/m1./s1
InChIKeyVQCZNEZTOUBFQZ-VZYDHVRKSA-N
XLogP2.99
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.04
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[(2R)-1-oxo-1-(3-oxospiro[2H-indene-1,4'-piperidine]-1'-yl)-3-phenylmethoxypropan-2-yl]propanamide;hydrochloride?
The IUPAC name of 2-amino-2-methyl-N-[(2R)-1-oxo-1-(3-oxospiro[2H-indene-1,4'-piperidine]-1'-yl)-3-phenylmethoxypropan-2-yl]propanamide;hydrochloride (CID 22867315) is 2-amino-2-methyl-N-[(2R)-1-oxo-1-(3-oxospiro[2H-indene-1,4'-piperidine]-1'-yl)-3-phenylmethoxypropan-2-yl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-2-methyl-N-[(2R)-1-oxo-1-(3-oxospiro[2H-indene-1,4'-piperidine]-1'-yl)-3-phenylmethoxypropan-2-yl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-2-methyl-N-[(2R)-1-oxo-1-(3-oxospiro[2H-indene-1,4'-piperidine]-1'-yl)-3-phenylmethoxypropan-2-yl]propanamide;hydrochloride is CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)CC(=O)c1ccccc12.Cl.
What is the InChIKey of 2-amino-2-methyl-N-[(2R)-1-oxo-1-(3-oxospiro[2H-indene-1,4'-piperidine]-1'-yl)-3-phenylmethoxypropan-2-yl]propanamide;hydrochloride?
The InChIKey is VQCZNEZTOUBFQZ-VZYDHVRKSA-N. The full InChI is InChI=1S/C27H33N3O4.ClH/c1-26(2,28)25(33)29-22(18-34-17-19-8-4-3-5-9-19)24(32)30-14-12-27(13-15-30)16-23(31)20-10-6-7-11-21(20)27;/h3-11,22H,12-18,28H2,1-2H3,(H,29,33);1H/t22-;/m1./s1.
What are the key properties of 2-amino-2-methyl-N-[(2R)-1-oxo-1-(3-oxospiro[2H-indene-1,4'-piperidine]-1'-yl)-3-phenylmethoxypropan-2-yl]propanamide;hydrochloride?
2-amino-2-methyl-N-[(2R)-1-oxo-1-(3-oxospiro[2H-indene-1,4'-piperidine]-1'-yl)-3-phenylmethoxypropan-2-yl]propanamide;hydrochloride has a molecular weight of 500.04 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[(2R)-1-oxo-1-(3-oxospiro[2H-indene-1,4'-piperidine]-1'-yl)-3-phenylmethoxypropan-2-yl]propanamide;hydrochloride is sourced from PubChem (CID 22867315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).