N-hydroxy-4-[(1-methyl-7-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]benzamide

C27H29N3O2 — CID 162647611

IUPACN-hydroxy-4-[(1-methyl-7-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]benzamide
SMILESCN1CC2(CCN(Cc3ccc(C(=O)NO)cc3)CC2)c2cccc(-c3ccccc3)c21
InChIInChI=1S/C27H29N3O2/c1-29-19-27(24-9-5-8-23(25(24)29)21-6-3-2-4-7-21)14-16-30(17-15-27)18-20-10-12-22(13-11-20)26(31)28-32/h2-13,32H,14-19H2,1H3,(H,28,31)
InChIKeyLDWBAEGQYZGDNJ-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.46
Rot. Bonds4

About N-hydroxy-4-[(1-methyl-7-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]benzamide

N-hydroxy-4-[(1-methyl-7-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]benzamide (PubChem CID 162647611) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-hydroxy-4-[(1-methyl-7-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(1-methyl-7-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]benzamide
PubChem CID162647611
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC NameN-hydroxy-4-[(1-methyl-7-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]benzamide
SMILESCN1CC2(CCN(Cc3ccc(C(=O)NO)cc3)CC2)c2cccc(-c3ccccc3)c21
InChIInChI=1S/C27H29N3O2/c1-29-19-27(24-9-5-8-23(25(24)29)21-6-3-2-4-7-21)14-16-30(17-15-27)18-20-10-12-22(13-11-20)26(31)28-32/h2-13,32H,14-19H2,1H3,(H,28,31)
InChIKeyLDWBAEGQYZGDNJ-UHFFFAOYSA-N
XLogP4.46
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-4-[(1'-methyl-3-oxospiro[isoindole-1,4'-piperidine]-2-yl)methyl]benzamide
CID 139460087
N-hydroxy-4-[(4-phenylpiperidin-1-yl)methyl]benzamide
CID 163366143
N-hydroxy-4-[[1'-(1-hydroxyethyl)-3-oxospiro[isoindole-1,4'-piperidine]-2-yl]methyl]benzamide
CID 139460088
4-[[4-[[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide
CID 144920782
N-hydroxy-1'-[(4-methylphenyl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 122634909
N-hydroxy-4-[(3-oxospiro[isoindole-1,4'-piperidine]-2-yl)methyl]benzamide
CID 139451627
methyl 4-[[2-[(2-phenylphenyl)carbamoyloxy]-7-azaspiro[3.5]nonan-7-yl]methyl]benzoate
CID 122689814
1'-benzyl-N-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-4-carboxamide;methyl 1'-benzylspiro[1,3-dihydroindene-2,4'-piperidine]-4-carboxylate
CID 157115819
2-[4,7-bis(carboxymethyl)-10-[[4-(sulfanylcarbamoyl)phenyl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 148663109
N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-phenylthiophene-2-carboxamide
CID 60514084
N-(2-hydroxy-5-phenylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 59627322
4-[[(3S,5R)-3,5-dimethyl-4-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperazin-1-yl]methyl]-N-hydroxybenzamide
CID 118367461

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(1-methyl-7-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]benzamide?
The IUPAC name of N-hydroxy-4-[(1-methyl-7-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]benzamide (CID 162647611) is N-hydroxy-4-[(1-methyl-7-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(1-methyl-7-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(1-methyl-7-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]benzamide is CN1CC2(CCN(Cc3ccc(C(=O)NO)cc3)CC2)c2cccc(-c3ccccc3)c21.
What is the InChIKey of N-hydroxy-4-[(1-methyl-7-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]benzamide?
The InChIKey is LDWBAEGQYZGDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c1-29-19-27(24-9-5-8-23(25(24)29)21-6-3-2-4-7-21)14-16-30(17-15-27)18-20-10-12-22(13-11-20)26(31)28-32/h2-13,32H,14-19H2,1H3,(H,28,31).
What are the key properties of N-hydroxy-4-[(1-methyl-7-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]benzamide?
N-hydroxy-4-[(1-methyl-7-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]benzamide has a molecular weight of 427.55 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(1-methyl-7-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]benzamide is sourced from PubChem (CID 162647611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).