[(3S)-1-[[3-(dibenzofuran-3-carbonylamino)-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-yl]carbamic acid

C30H29N5O4 — CID 174225738

IUPAC[(3S)-1-[[3-(dibenzofuran-3-carbonylamino)-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-yl]carbamic acid
SMILESCc1cn(-c2cc(CN3CCC[C@H](NC(=O)O)C3)cc(NC(=O)c3ccc4c(c3)oc3ccccc34)c2)cn1
InChIInChI=1S/C30H29N5O4/c1-19-15-35(18-31-19)24-12-20(16-34-10-4-5-22(17-34)33-30(37)38)11-23(14-24)32-29(36)21-8-9-26-25-6-2-3-7-27(25)39-28(26)13-21/h2-3,6-9,11-15,18,22,33H,4-5,10,16-17H2,1H3,(H,32,36)(H,37,38)/t22-/m0/s1
InChIKeyQNLSIDIGVYZTNJ-QFIPXVFZSA-N
MW523.59 g/mol
LogP5.56
Rot. Bonds6

About [(3S)-1-[[3-(dibenzofuran-3-carbonylamino)-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-yl]carbamic acid

[(3S)-1-[[3-(dibenzofuran-3-carbonylamino)-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-yl]carbamic acid (PubChem CID 174225738) has the molecular formula C30H29N5O4 and a molecular weight of 523.59 g/mol. Its IUPAC name is [(3S)-1-[[3-(dibenzofuran-3-carbonylamino)-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3S)-1-[[3-(dibenzofuran-3-carbonylamino)-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-yl]carbamic acid
PubChem CID174225738
Molecular FormulaC30H29N5O4
Molecular Weight523.59 g/mol
Exact Mass523.22
IUPAC Name[(3S)-1-[[3-(dibenzofuran-3-carbonylamino)-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-yl]carbamic acid
SMILESCc1cn(-c2cc(CN3CCC[C@H](NC(=O)O)C3)cc(NC(=O)c3ccc4c(c3)oc3ccccc34)c2)cn1
InChIInChI=1S/C30H29N5O4/c1-19-15-35(18-31-19)24-12-20(16-34-10-4-5-22(17-34)33-30(37)38)11-23(14-24)32-29(36)21-8-9-26-25-6-2-3-7-27(25)39-28(26)13-21/h2-3,6-9,11-15,18,22,33H,4-5,10,16-17H2,1H3,(H,32,36)(H,37,38)/t22-/m0/s1
InChIKeyQNLSIDIGVYZTNJ-QFIPXVFZSA-N
XLogP5.56
TPSA112.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.59
LogP ≤ 55.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [(3S)-1-[[3-(dibenzofuran-3-carbonylamino)-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-yl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[[3-(dibenzofuran-3-carbonylamino)-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-yl]carbamic acid?
The IUPAC name of [(3S)-1-[[3-(dibenzofuran-3-carbonylamino)-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-yl]carbamic acid (CID 174225738) is [(3S)-1-[[3-(dibenzofuran-3-carbonylamino)-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-yl]carbamic acid.
What is the SMILES notation for [(3S)-1-[[3-(dibenzofuran-3-carbonylamino)-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-yl]carbamic acid?
The canonical SMILES for [(3S)-1-[[3-(dibenzofuran-3-carbonylamino)-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-yl]carbamic acid is Cc1cn(-c2cc(CN3CCC[C@H](NC(=O)O)C3)cc(NC(=O)c3ccc4c(c3)oc3ccccc34)c2)cn1.
What is the InChIKey of [(3S)-1-[[3-(dibenzofuran-3-carbonylamino)-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-yl]carbamic acid?
The InChIKey is QNLSIDIGVYZTNJ-QFIPXVFZSA-N. The full InChI is InChI=1S/C30H29N5O4/c1-19-15-35(18-31-19)24-12-20(16-34-10-4-5-22(17-34)33-30(37)38)11-23(14-24)32-29(36)21-8-9-26-25-6-2-3-7-27(25)39-28(26)13-21/h2-3,6-9,11-15,18,22,33H,4-5,10,16-17H2,1H3,(H,32,36)(H,37,38)/t22-/m0/s1.
What are the key properties of [(3S)-1-[[3-(dibenzofuran-3-carbonylamino)-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-yl]carbamic acid?
[(3S)-1-[[3-(dibenzofuran-3-carbonylamino)-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-yl]carbamic acid has a molecular weight of 523.59 g/mol, XLogP of 5.56, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[[3-(dibenzofuran-3-carbonylamino)-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-yl]carbamic acid is sourced from PubChem (CID 174225738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).