(2,4-diphenylpiperidin-1-yl)-(2-ethylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)methanone

C32H37N3O — CID 76819519

IUPAC(2,4-diphenylpiperidin-1-yl)-(2-ethylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)methanone
SMILESCCc1ccc2c(n1)CCCC21CNCC1C(=O)N1CCC(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C32H37N3O/c1-2-26-15-16-27-29(34-26)14-9-18-32(27)22-33-21-28(32)31(36)35-19-17-25(23-10-5-3-6-11-23)20-30(35)24-12-7-4-8-13-24/h3-8,10-13,15-16,25,28,30,33H,2,9,14,17-22H2,1H3
InChIKeyQMMNYKHUIHNYLY-UHFFFAOYSA-N
MW479.67 g/mol
LogP5.59
Rot. Bonds4

About (2,4-diphenylpiperidin-1-yl)-(2-ethylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)methanone

(2,4-diphenylpiperidin-1-yl)-(2-ethylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)methanone (PubChem CID 76819519) has the molecular formula C32H37N3O and a molecular weight of 479.67 g/mol. Its IUPAC name is (2,4-diphenylpiperidin-1-yl)-(2-ethylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)methanone.

Molecular Properties

Compound Name(2,4-diphenylpiperidin-1-yl)-(2-ethylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)methanone
PubChem CID76819519
Molecular FormulaC32H37N3O
Molecular Weight479.67 g/mol
Exact Mass479.29
IUPAC Name(2,4-diphenylpiperidin-1-yl)-(2-ethylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)methanone
SMILESCCc1ccc2c(n1)CCCC21CNCC1C(=O)N1CCC(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C32H37N3O/c1-2-26-15-16-27-29(34-26)14-9-18-32(27)22-33-21-28(32)31(36)35-19-17-25(23-10-5-3-6-11-23)20-30(35)24-12-7-4-8-13-24/h3-8,10-13,15-16,25,28,30,33H,2,9,14,17-22H2,1H3
InChIKeyQMMNYKHUIHNYLY-UHFFFAOYSA-N
XLogP5.59
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.67
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2,4-diphenylpiperidin-1-yl)-(2-ethylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)methanone with MolForge

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Related Compounds

SB 414240
CID 9806459
N-[(1S)-1-cyclohexylethyl]-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline-4-carboxamide
CID 9830361
N-[(1S)-1-cyclohexylethyl]-2-phenyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline-4-carboxamide
CID 9872857
2-Phenyl-3-piperazin-1-ylmethyl-quinoline-4-carboxylic acid (1-cyclohexyl-ethyl)-amide
CID 9825316
3-(4-Amino-piperidin-1-ylmethyl)-2-phenyl-quinoline-4-carboxylic acid (1-cyclohexyl-ethyl)-amide
CID 10552329
N-[(1S)-1-cyclohexylethyl]-3-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-2-phenylquinoline-4-carboxamide
CID 10792233
3-[(4-cyclohexylpiperazin-1-yl)methyl]-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 10840329
2-phenyl-N-[(1S)-1-phenylpropyl]-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline-4-carboxamide
CID 11800732
[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2-cyclohexyl-4-phenylpiperidin-1-yl]methanone
CID 56834949
[(2S,4R)-2-cyclohexyl-4-phenylpiperidin-1-yl]-[(3'S,5R)-2-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone
CID 56834950
TRPV4 blocker SB-390570
CID 91535935
2-phenyl-N-[(1S)-1-phenylpropyl]-3-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline-4-carboxamide
CID 10696939

Frequently Asked Questions

What is the IUPAC name of (2,4-diphenylpiperidin-1-yl)-(2-ethylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)methanone?
The IUPAC name of (2,4-diphenylpiperidin-1-yl)-(2-ethylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)methanone (CID 76819519) is (2,4-diphenylpiperidin-1-yl)-(2-ethylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)methanone.
What is the SMILES notation for (2,4-diphenylpiperidin-1-yl)-(2-ethylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)methanone?
The canonical SMILES for (2,4-diphenylpiperidin-1-yl)-(2-ethylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)methanone is CCc1ccc2c(n1)CCCC21CNCC1C(=O)N1CCC(c2ccccc2)CC1c1ccccc1.
What is the InChIKey of (2,4-diphenylpiperidin-1-yl)-(2-ethylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)methanone?
The InChIKey is QMMNYKHUIHNYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O/c1-2-26-15-16-27-29(34-26)14-9-18-32(27)22-33-21-28(32)31(36)35-19-17-25(23-10-5-3-6-11-23)20-30(35)24-12-7-4-8-13-24/h3-8,10-13,15-16,25,28,30,33H,2,9,14,17-22H2,1H3.
What are the key properties of (2,4-diphenylpiperidin-1-yl)-(2-ethylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)methanone?
(2,4-diphenylpiperidin-1-yl)-(2-ethylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)methanone has a molecular weight of 479.67 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-diphenylpiperidin-1-yl)-(2-ethylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)methanone is sourced from PubChem (CID 76819519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).