tert-butyl 4-[4-(3,4-difluorophenyl)-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]imidazol-2-yl]piperidine-1-carboxylate

C30H36F2N4O4 — CID 67264982

IUPACtert-butyl 4-[4-(3,4-difluorophenyl)-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]imidazol-2-yl]piperidine-1-carboxylate
SMILESCN(CCn1cc(-c2ccc(F)c(F)c2)nc1C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OCc1ccccc1
InChIInChI=1S/C30H36F2N4O4/c1-30(2,3)40-29(38)35-14-12-22(13-15-35)27-33-26(23-10-11-24(31)25(32)18-23)19-36(27)17-16-34(4)28(37)39-20-21-8-6-5-7-9-21/h5-11,18-19,22H,12-17,20H2,1-4H3
InChIKeyFJGZMYLGEIREJK-UHFFFAOYSA-N
MW554.64 g/mol
LogP6.21
Rot. Bonds7

About tert-butyl 4-[4-(3,4-difluorophenyl)-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]imidazol-2-yl]piperidine-1-carboxylate

tert-butyl 4-[4-(3,4-difluorophenyl)-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]imidazol-2-yl]piperidine-1-carboxylate (PubChem CID 67264982) has the molecular formula C30H36F2N4O4 and a molecular weight of 554.64 g/mol. Its IUPAC name is tert-butyl 4-[4-(3,4-difluorophenyl)-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]imidazol-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-(3,4-difluorophenyl)-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]imidazol-2-yl]piperidine-1-carboxylate
PubChem CID67264982
Molecular FormulaC30H36F2N4O4
Molecular Weight554.64 g/mol
Exact Mass554.27
IUPAC Nametert-butyl 4-[4-(3,4-difluorophenyl)-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]imidazol-2-yl]piperidine-1-carboxylate
SMILESCN(CCn1cc(-c2ccc(F)c(F)c2)nc1C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OCc1ccccc1
InChIInChI=1S/C30H36F2N4O4/c1-30(2,3)40-29(38)35-14-12-22(13-15-35)27-33-26(23-10-11-24(31)25(32)18-23)19-36(27)17-16-34(4)28(37)39-20-21-8-6-5-7-9-21/h5-11,18-19,22H,12-17,20H2,1-4H3
InChIKeyFJGZMYLGEIREJK-UHFFFAOYSA-N
XLogP6.21
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.64
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[4-(3,4-difluorophenyl)-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]imidazol-2-yl]piperidine-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl 4-[4-(3,4-difluorophenyl)-1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidine-1-carboxylate
CID 67265131
tert-butyl 4-[1-[2-(dimethylamino)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidine-1-carboxylate
CID 67264844
tert-butyl 4-[1-[(1-benzylpiperidin-2-yl)methyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidine-1-carboxylate
CID 59322446
4-[1-[2-[benzyl(methyl)amino]ethyl]-4-(3-chloro-4-fluorophenyl)imidazol-2-yl]piperidine-1-carboxylic acid
CID 123672591
tert-butyl 4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]imidazol-2-yl]piperidine-1-carboxylate
CID 67264895
tert-butyl 4-[1-ethenyl-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidine-1-carboxylate
CID 134836347
tert-butyl 4-[3-hydroxypropyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate
CID 22894079
benzyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]sulfanylpiperidine-1-carboxylate
CID 129189016
tert-butyl 4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[(3R)-1-methylpiperidin-3-yl]imidazol-2-yl]piperidine-1-carboxylate
CID 67264976
tert-butyl (3S,4R)-4-[1-[2-(azetidin-1-yl)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]-3-fluoropiperidine-1-carboxylate
CID 90424480
tert-butyl 3-fluoro-4-[4-(4-fluoro-3-methylphenyl)-1-[2-(oxan-2-yloxy)ethyl]imidazol-2-yl]piperidine-1-carboxylate
CID 90424254
tert-butyl 4-[4-[azetidine-3-carbonyl(phenylmethoxycarbonyl)amino]phenyl]piperidine-1-carboxylate
CID 90012519

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(3,4-difluorophenyl)-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]imidazol-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-(3,4-difluorophenyl)-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]imidazol-2-yl]piperidine-1-carboxylate (CID 67264982) is tert-butyl 4-[4-(3,4-difluorophenyl)-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]imidazol-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-(3,4-difluorophenyl)-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]imidazol-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-(3,4-difluorophenyl)-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]imidazol-2-yl]piperidine-1-carboxylate is CN(CCn1cc(-c2ccc(F)c(F)c2)nc1C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OCc1ccccc1.
What is the InChIKey of tert-butyl 4-[4-(3,4-difluorophenyl)-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]imidazol-2-yl]piperidine-1-carboxylate?
The InChIKey is FJGZMYLGEIREJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36F2N4O4/c1-30(2,3)40-29(38)35-14-12-22(13-15-35)27-33-26(23-10-11-24(31)25(32)18-23)19-36(27)17-16-34(4)28(37)39-20-21-8-6-5-7-9-21/h5-11,18-19,22H,12-17,20H2,1-4H3.
What are the key properties of tert-butyl 4-[4-(3,4-difluorophenyl)-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]imidazol-2-yl]piperidine-1-carboxylate?
tert-butyl 4-[4-(3,4-difluorophenyl)-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]imidazol-2-yl]piperidine-1-carboxylate has a molecular weight of 554.64 g/mol, XLogP of 6.21, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-(3,4-difluorophenyl)-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]imidazol-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 67264982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).