(2S)-2-amino-1-(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-4-methylpentan-1-one

C18H26ClN3O — CID 97448932

IUPAC(2S)-2-amino-1-(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-4-methylpentan-1-one
SMILESCC(C)C[C@H](N)C(=O)N1CC2(CCNCC2)c2cc(Cl)ccc21
InChIInChI=1S/C18H26ClN3O/c1-12(2)9-15(20)17(23)22-11-18(5-7-21-8-6-18)14-10-13(19)3-4-16(14)22/h3-4,10,12,15,21H,5-9,11,20H2,1-2H3/t15-/m0/s1
InChIKeyOLSKMQFBFJJURO-HNNXBMFYSA-N
MW335.88 g/mol
LogP2.68
Rot. Bonds3

About (2S)-2-amino-1-(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-4-methylpentan-1-one

(2S)-2-amino-1-(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-4-methylpentan-1-one (PubChem CID 97448932) has the molecular formula C18H26ClN3O and a molecular weight of 335.88 g/mol. Its IUPAC name is (2S)-2-amino-1-(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-4-methylpentan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-4-methylpentan-1-one
PubChem CID97448932
Molecular FormulaC18H26ClN3O
Molecular Weight335.88 g/mol
Exact Mass335.18
IUPAC Name(2S)-2-amino-1-(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-4-methylpentan-1-one
SMILESCC(C)C[C@H](N)C(=O)N1CC2(CCNCC2)c2cc(Cl)ccc21
InChIInChI=1S/C18H26ClN3O/c1-12(2)9-15(20)17(23)22-11-18(5-7-21-8-6-18)14-10-13(19)3-4-16(14)22/h3-4,10,12,15,21H,5-9,11,20H2,1-2H3/t15-/m0/s1
InChIKeyOLSKMQFBFJJURO-HNNXBMFYSA-N
XLogP2.68
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-4-methylpentan-1-one?
The IUPAC name of (2S)-2-amino-1-(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-4-methylpentan-1-one (CID 97448932) is (2S)-2-amino-1-(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-4-methylpentan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-4-methylpentan-1-one?
The canonical SMILES for (2S)-2-amino-1-(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-4-methylpentan-1-one is CC(C)C[C@H](N)C(=O)N1CC2(CCNCC2)c2cc(Cl)ccc21.
What is the InChIKey of (2S)-2-amino-1-(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-4-methylpentan-1-one?
The InChIKey is OLSKMQFBFJJURO-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26ClN3O/c1-12(2)9-15(20)17(23)22-11-18(5-7-21-8-6-18)14-10-13(19)3-4-16(14)22/h3-4,10,12,15,21H,5-9,11,20H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-2-amino-1-(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-4-methylpentan-1-one?
(2S)-2-amino-1-(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-4-methylpentan-1-one has a molecular weight of 335.88 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-4-methylpentan-1-one is sourced from PubChem (CID 97448932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).