N-[2-(4-chlorophenyl)-4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutyl]-N-methylbenzamide

C30H33ClN2O2 — CID 10602172

IUPACN-[2-(4-chlorophenyl)-4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutyl]-N-methylbenzamide
SMILESCN(CC(CCN1CCC2(CC1)OCc1ccccc12)c1ccc(Cl)cc1)C(=O)c1ccccc1
InChIInChI=1S/C30H33ClN2O2/c1-32(29(34)24-7-3-2-4-8-24)21-25(23-11-13-27(31)14-12-23)15-18-33-19-16-30(17-20-33)28-10-6-5-9-26(28)22-35-30/h2-14,25H,15-22H2,1H3
InChIKeyRXWOPJRCRGAENY-UHFFFAOYSA-N
MW489.06 g/mol
LogP6.11
Rot. Bonds7

About N-[2-(4-chlorophenyl)-4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutyl]-N-methylbenzamide

N-[2-(4-chlorophenyl)-4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutyl]-N-methylbenzamide (PubChem CID 10602172) has the molecular formula C30H33ClN2O2 and a molecular weight of 489.06 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutyl]-N-methylbenzamide
PubChem CID10602172
Molecular FormulaC30H33ClN2O2
Molecular Weight489.06 g/mol
Exact Mass488.22
IUPAC NameN-[2-(4-chlorophenyl)-4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutyl]-N-methylbenzamide
SMILESCN(CC(CCN1CCC2(CC1)OCc1ccccc12)c1ccc(Cl)cc1)C(=O)c1ccccc1
InChIInChI=1S/C30H33ClN2O2/c1-32(29(34)24-7-3-2-4-8-24)21-25(23-11-13-27(31)14-12-23)15-18-33-19-16-30(17-20-33)28-10-6-5-9-26(28)22-35-30/h2-14,25H,15-22H2,1H3
InChIKeyRXWOPJRCRGAENY-UHFFFAOYSA-N
XLogP6.11
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.06
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-(3,4-dichlorophenyl)-4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutyl]-N-methylbenzamide
CID 10507025
N-[2-(3,4-dichlorophenyl)-4-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylbutyl]-N-methylbenzamide
CID 19366950
2-(3,4-difluorophenyl)-N-methyl-2-phenyl-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide
CID 10413283
2-[[(4-chlorophenyl)-phenylmethyl]amino]-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethanone
CID 25056859
N-methyl-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-N-(2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)ethanamine
CID 18700233
2-[[(S)-(4-chlorophenyl)-phenylmethyl]amino]-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethanone;2-[[(R)-(4-chlorophenyl)-phenylmethyl]amino]-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethanone;methane
CID 159662379
3,5-dichloro-N-[(2S)-2-(3,4-dichlorophenyl)-4-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylbutyl]-N-methylbenzamide
CID 18392640
N-[(2S)-4-(4-acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide;butanedioic acid
CID 11534823
2-(4-chlorophenyl)-2-methyl-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)propanamide
CID 58685214
N-[4-[4-[benzoyl-(1-methylpiperidin-4-yl)amino]piperidin-1-yl]-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide
CID 69113639
1-(4-fluorophenyl)-4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutan-1-ol;oxalic acid
CID 22012237
N-[2-(4-chlorophenyl)-4-[4-(4-ethylpiperazine-1-carbonyl)-4-phenylpiperidin-1-yl]butyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 20703645

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutyl]-N-methylbenzamide?
The IUPAC name of N-[2-(4-chlorophenyl)-4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutyl]-N-methylbenzamide (CID 10602172) is N-[2-(4-chlorophenyl)-4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutyl]-N-methylbenzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutyl]-N-methylbenzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutyl]-N-methylbenzamide is CN(CC(CCN1CCC2(CC1)OCc1ccccc12)c1ccc(Cl)cc1)C(=O)c1ccccc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutyl]-N-methylbenzamide?
The InChIKey is RXWOPJRCRGAENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33ClN2O2/c1-32(29(34)24-7-3-2-4-8-24)21-25(23-11-13-27(31)14-12-23)15-18-33-19-16-30(17-20-33)28-10-6-5-9-26(28)22-35-30/h2-14,25H,15-22H2,1H3.
What are the key properties of N-[2-(4-chlorophenyl)-4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutyl]-N-methylbenzamide?
N-[2-(4-chlorophenyl)-4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutyl]-N-methylbenzamide has a molecular weight of 489.06 g/mol, XLogP of 6.11, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutyl]-N-methylbenzamide is sourced from PubChem (CID 10602172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).