N-(4-anilinophenyl)spiro[indene-3,4'-piperidine]-1-carboxamide

C26H25N3O — CID 97449030

IUPACN-(4-anilinophenyl)spiro[indene-3,4'-piperidine]-1-carboxamide
SMILESO=C(Nc1ccc(Nc2ccccc2)cc1)C1=CC2(CCNCC2)c2ccccc21
InChIInChI=1S/C26H25N3O/c30-25(29-21-12-10-20(11-13-21)28-19-6-2-1-3-7-19)23-18-26(14-16-27-17-15-26)24-9-5-4-8-22(23)24/h1-13,18,27-28H,14-17H2,(H,29,30)
InChIKeyWGIUBUPNBWNFDG-UHFFFAOYSA-N
MW395.51 g/mol
LogP5.09
Rot. Bonds4

About N-(4-anilinophenyl)spiro[indene-3,4'-piperidine]-1-carboxamide

N-(4-anilinophenyl)spiro[indene-3,4'-piperidine]-1-carboxamide (PubChem CID 97449030) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is N-(4-anilinophenyl)spiro[indene-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)spiro[indene-3,4'-piperidine]-1-carboxamide
PubChem CID97449030
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC NameN-(4-anilinophenyl)spiro[indene-3,4'-piperidine]-1-carboxamide
SMILESO=C(Nc1ccc(Nc2ccccc2)cc1)C1=CC2(CCNCC2)c2ccccc21
InChIInChI=1S/C26H25N3O/c30-25(29-21-12-10-20(11-13-21)28-19-6-2-1-3-7-19)23-18-26(14-16-27-17-15-26)24-9-5-4-8-22(23)24/h1-13,18,27-28H,14-17H2,(H,29,30)
InChIKeyWGIUBUPNBWNFDG-UHFFFAOYSA-N
XLogP5.09
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 55.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-methyl-1-spiro[indene-3,4'-piperidine]-1-ylhexan-1-one
CID 143604165
spiro[3H-naphthalene-4,4'-piperidine]-1-carboxylic acid
CID 59600606
N-(4-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120616741
N-phenylspiro[indole-3,4'-piperidine]-2-carboxamide
CID 90932003
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314
N-(4-anilinophenyl)-4-phenylbenzamide
CID 3363408
4-methoxy-N-[4-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 119756449
ethane;1-spiro[3H-naphthalene-4,4'-piperidine]-1-ylethanone
CID 91052869
2-(3-hydroxypyrrolidin-3-yl)-N-phenylacetamide
CID 84724654
spiro[2H-indene-3,4'-piperidine]-1-one;hydrochloride
CID 18673582
1-(4-anilinophenyl)cyclobutane-1-carboxylic acid
CID 82537404
N-(4-anilinophenyl)-4-carbamothioylbenzamide
CID 60559112

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)spiro[indene-3,4'-piperidine]-1-carboxamide?
The IUPAC name of N-(4-anilinophenyl)spiro[indene-3,4'-piperidine]-1-carboxamide (CID 97449030) is N-(4-anilinophenyl)spiro[indene-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for N-(4-anilinophenyl)spiro[indene-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for N-(4-anilinophenyl)spiro[indene-3,4'-piperidine]-1-carboxamide is O=C(Nc1ccc(Nc2ccccc2)cc1)C1=CC2(CCNCC2)c2ccccc21.
What is the InChIKey of N-(4-anilinophenyl)spiro[indene-3,4'-piperidine]-1-carboxamide?
The InChIKey is WGIUBUPNBWNFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O/c30-25(29-21-12-10-20(11-13-21)28-19-6-2-1-3-7-19)23-18-26(14-16-27-17-15-26)24-9-5-4-8-22(23)24/h1-13,18,27-28H,14-17H2,(H,29,30).
What are the key properties of N-(4-anilinophenyl)spiro[indene-3,4'-piperidine]-1-carboxamide?
N-(4-anilinophenyl)spiro[indene-3,4'-piperidine]-1-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 5.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)spiro[indene-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 97449030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).