5-chloro-1'-propan-2-yl-1-propylspiro[indole-3,4'-piperidine]-2-one

C18H25ClN2O — CID 170117340

IUPAC5-chloro-1'-propan-2-yl-1-propylspiro[indole-3,4'-piperidine]-2-one
SMILESCCCN1C(=O)C2(CCN(C(C)C)CC2)c2cc(Cl)ccc21
InChIInChI=1S/C18H25ClN2O/c1-4-9-21-16-6-5-14(19)12-15(16)18(17(21)22)7-10-20(11-8-18)13(2)3/h5-6,12-13H,4,7-11H2,1-3H3
InChIKeyPDPJFMNPAIXWES-UHFFFAOYSA-N
MW320.86 g/mol
LogP3.84
Rot. Bonds3

About 5-chloro-1'-propan-2-yl-1-propylspiro[indole-3,4'-piperidine]-2-one

5-chloro-1'-propan-2-yl-1-propylspiro[indole-3,4'-piperidine]-2-one (PubChem CID 170117340) has the molecular formula C18H25ClN2O and a molecular weight of 320.86 g/mol. Its IUPAC name is 5-chloro-1'-propan-2-yl-1-propylspiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name5-chloro-1'-propan-2-yl-1-propylspiro[indole-3,4'-piperidine]-2-one
PubChem CID170117340
Molecular FormulaC18H25ClN2O
Molecular Weight320.86 g/mol
Exact Mass320.17
IUPAC Name5-chloro-1'-propan-2-yl-1-propylspiro[indole-3,4'-piperidine]-2-one
SMILESCCCN1C(=O)C2(CCN(C(C)C)CC2)c2cc(Cl)ccc21
InChIInChI=1S/C18H25ClN2O/c1-4-9-21-16-6-5-14(19)12-15(16)18(17(21)22)7-10-20(11-8-18)13(2)3/h5-6,12-13H,4,7-11H2,1-3H3
InChIKeyPDPJFMNPAIXWES-UHFFFAOYSA-N
XLogP3.84
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.86
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1'-propan-2-yl-1-propylspiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 5-chloro-1'-propan-2-yl-1-propylspiro[indole-3,4'-piperidine]-2-one (CID 170117340) is 5-chloro-1'-propan-2-yl-1-propylspiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 5-chloro-1'-propan-2-yl-1-propylspiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 5-chloro-1'-propan-2-yl-1-propylspiro[indole-3,4'-piperidine]-2-one is CCCN1C(=O)C2(CCN(C(C)C)CC2)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1'-propan-2-yl-1-propylspiro[indole-3,4'-piperidine]-2-one?
The InChIKey is PDPJFMNPAIXWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O/c1-4-9-21-16-6-5-14(19)12-15(16)18(17(21)22)7-10-20(11-8-18)13(2)3/h5-6,12-13H,4,7-11H2,1-3H3.
What are the key properties of 5-chloro-1'-propan-2-yl-1-propylspiro[indole-3,4'-piperidine]-2-one?
5-chloro-1'-propan-2-yl-1-propylspiro[indole-3,4'-piperidine]-2-one has a molecular weight of 320.86 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1'-propan-2-yl-1-propylspiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 170117340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).