6-chloro-N-methyl-1'-(2-phenylethyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-3-carboxamide

C25H29ClN4O — CID 44535918

IUPAC6-chloro-N-methyl-1'-(2-phenylethyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-3-carboxamide
SMILESCNC(=O)C1Cc2c([nH]c3ccc(Cl)cc23)C2(CCN(CCc3ccccc3)CC2)N1
InChIInChI=1S/C25H29ClN4O/c1-27-24(31)22-16-20-19-15-18(26)7-8-21(19)28-23(20)25(29-22)10-13-30(14-11-25)12-9-17-5-3-2-4-6-17/h2-8,15,22,28-29H,9-14,16H2,1H3,(H,27,31)
InChIKeyDXOJASMOJGADFO-UHFFFAOYSA-N
MW436.99 g/mol
LogP3.62
Rot. Bonds4

About 6-chloro-N-methyl-1'-(2-phenylethyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-3-carboxamide

6-chloro-N-methyl-1'-(2-phenylethyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-3-carboxamide (PubChem CID 44535918) has the molecular formula C25H29ClN4O and a molecular weight of 436.99 g/mol. Its IUPAC name is 6-chloro-N-methyl-1'-(2-phenylethyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-methyl-1'-(2-phenylethyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-3-carboxamide
PubChem CID44535918
Molecular FormulaC25H29ClN4O
Molecular Weight436.99 g/mol
Exact Mass436.20
IUPAC Name6-chloro-N-methyl-1'-(2-phenylethyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-3-carboxamide
SMILESCNC(=O)C1Cc2c([nH]c3ccc(Cl)cc23)C2(CCN(CCc3ccccc3)CC2)N1
InChIInChI=1S/C25H29ClN4O/c1-27-24(31)22-16-20-19-15-18(26)7-8-21(19)28-23(20)25(29-22)10-13-30(14-11-25)12-9-17-5-3-2-4-6-17/h2-8,15,22,28-29H,9-14,16H2,1H3,(H,27,31)
InChIKeyDXOJASMOJGADFO-UHFFFAOYSA-N
XLogP3.62
TPSA60.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.99
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-1'-(2-phenylethyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-3-carboxamide?
The IUPAC name of 6-chloro-N-methyl-1'-(2-phenylethyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-3-carboxamide (CID 44535918) is 6-chloro-N-methyl-1'-(2-phenylethyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-3-carboxamide.
What is the SMILES notation for 6-chloro-N-methyl-1'-(2-phenylethyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-3-carboxamide?
The canonical SMILES for 6-chloro-N-methyl-1'-(2-phenylethyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-3-carboxamide is CNC(=O)C1Cc2c([nH]c3ccc(Cl)cc23)C2(CCN(CCc3ccccc3)CC2)N1.
What is the InChIKey of 6-chloro-N-methyl-1'-(2-phenylethyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-3-carboxamide?
The InChIKey is DXOJASMOJGADFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O/c1-27-24(31)22-16-20-19-15-18(26)7-8-21(19)28-23(20)25(29-22)10-13-30(14-11-25)12-9-17-5-3-2-4-6-17/h2-8,15,22,28-29H,9-14,16H2,1H3,(H,27,31).
What are the key properties of 6-chloro-N-methyl-1'-(2-phenylethyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-3-carboxamide?
6-chloro-N-methyl-1'-(2-phenylethyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-3-carboxamide has a molecular weight of 436.99 g/mol, XLogP of 3.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-1'-(2-phenylethyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-3-carboxamide is sourced from PubChem (CID 44535918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).