N-[(1S,2S)-1'-[(9-ethylcarbazol-3-yl)methyl]-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide

C30H33N3O2 — CID 57401967

IUPACN-[(1S,2S)-1'-[(9-ethylcarbazol-3-yl)methyl]-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCCn1c2ccccc2c2cc(CN3CCC4(CC3)c3ccccc3[C@H](NC(C)=O)[C@H]4O)ccc21
InChIInChI=1S/C30H33N3O2/c1-3-33-26-11-7-5-8-22(26)24-18-21(12-13-27(24)33)19-32-16-14-30(15-17-32)25-10-6-4-9-23(25)28(29(30)35)31-20(2)34/h4-13,18,28-29,35H,3,14-17,19H2,1-2H3,(H,31,34)/t28-,29+/m0/s1
InChIKeyWLKCGASCIGZQCK-URLMMPGGSA-N
MW467.61 g/mol
LogP4.90
Rot. Bonds4

About N-[(1S,2S)-1'-[(9-ethylcarbazol-3-yl)methyl]-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide

N-[(1S,2S)-1'-[(9-ethylcarbazol-3-yl)methyl]-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (PubChem CID 57401967) has the molecular formula C30H33N3O2 and a molecular weight of 467.61 g/mol. Its IUPAC name is N-[(1S,2S)-1'-[(9-ethylcarbazol-3-yl)methyl]-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1S,2S)-1'-[(9-ethylcarbazol-3-yl)methyl]-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
PubChem CID57401967
Molecular FormulaC30H33N3O2
Molecular Weight467.61 g/mol
Exact Mass467.26
IUPAC NameN-[(1S,2S)-1'-[(9-ethylcarbazol-3-yl)methyl]-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCCn1c2ccccc2c2cc(CN3CCC4(CC3)c3ccccc3[C@H](NC(C)=O)[C@H]4O)ccc21
InChIInChI=1S/C30H33N3O2/c1-3-33-26-11-7-5-8-22(26)24-18-21(12-13-27(24)33)19-32-16-14-30(15-17-32)25-10-6-4-9-23(25)28(29(30)35)31-20(2)34/h4-13,18,28-29,35H,3,14-17,19H2,1-2H3,(H,31,34)/t28-,29+/m0/s1
InChIKeyWLKCGASCIGZQCK-URLMMPGGSA-N
XLogP4.90
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.61
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-1'-[(9-ethylcarbazol-3-yl)methyl]-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The IUPAC name of N-[(1S,2S)-1'-[(9-ethylcarbazol-3-yl)methyl]-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (CID 57401967) is N-[(1S,2S)-1'-[(9-ethylcarbazol-3-yl)methyl]-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.
What is the SMILES notation for N-[(1S,2S)-1'-[(9-ethylcarbazol-3-yl)methyl]-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The canonical SMILES for N-[(1S,2S)-1'-[(9-ethylcarbazol-3-yl)methyl]-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is CCn1c2ccccc2c2cc(CN3CCC4(CC3)c3ccccc3[C@H](NC(C)=O)[C@H]4O)ccc21.
What is the InChIKey of N-[(1S,2S)-1'-[(9-ethylcarbazol-3-yl)methyl]-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The InChIKey is WLKCGASCIGZQCK-URLMMPGGSA-N. The full InChI is InChI=1S/C30H33N3O2/c1-3-33-26-11-7-5-8-22(26)24-18-21(12-13-27(24)33)19-32-16-14-30(15-17-32)25-10-6-4-9-23(25)28(29(30)35)31-20(2)34/h4-13,18,28-29,35H,3,14-17,19H2,1-2H3,(H,31,34)/t28-,29+/m0/s1.
What are the key properties of N-[(1S,2S)-1'-[(9-ethylcarbazol-3-yl)methyl]-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
N-[(1S,2S)-1'-[(9-ethylcarbazol-3-yl)methyl]-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide has a molecular weight of 467.61 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-1'-[(9-ethylcarbazol-3-yl)methyl]-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 57401967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).