tert-butyl-[4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]piperidin-1-yl]carbamic acid

C23H28Cl2N2O3 — CID 68947794

IUPACtert-butyl-[4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]piperidin-1-yl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)N1CCC(OC(c2ccc(Cl)cc2)c2ccccc2Cl)CC1
InChIInChI=1S/C23H28Cl2N2O3/c1-23(2,3)27(22(28)29)26-14-12-18(13-15-26)30-21(16-8-10-17(24)11-9-16)19-6-4-5-7-20(19)25/h4-11,18,21H,12-15H2,1-3H3,(H,28,29)
InChIKeyQHHRZKCYMFZXTP-UHFFFAOYSA-N
MW451.39 g/mol
LogP6.26
Rot. Bonds5

About tert-butyl-[4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]piperidin-1-yl]carbamic acid

tert-butyl-[4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]piperidin-1-yl]carbamic acid (PubChem CID 68947794) has the molecular formula C23H28Cl2N2O3 and a molecular weight of 451.39 g/mol. Its IUPAC name is tert-butyl-[4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]piperidin-1-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]piperidin-1-yl]carbamic acid
PubChem CID68947794
Molecular FormulaC23H28Cl2N2O3
Molecular Weight451.39 g/mol
Exact Mass450.15
IUPAC Nametert-butyl-[4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]piperidin-1-yl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)N1CCC(OC(c2ccc(Cl)cc2)c2ccccc2Cl)CC1
InChIInChI=1S/C23H28Cl2N2O3/c1-23(2,3)27(22(28)29)26-14-12-18(13-15-26)30-21(16-8-10-17(24)11-9-16)19-6-4-5-7-20(19)25/h4-11,18,21H,12-15H2,1-3H3,(H,28,29)
InChIKeyQHHRZKCYMFZXTP-UHFFFAOYSA-N
XLogP6.26
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.39
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl-[4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]piperidin-1-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

Related Compounds

N-tert-butyl-3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidine-1-carboxamide
CID 11235177
4-[4-[(2-chlorophenyl)-phenylmethoxy]piperidin-1-yl]butanoic acid;hydrochloride
CID 67831658
N-tert-butyl-3-[(R)-(4-chlorophenyl)-[2-(1,1-difluoroethyl)phenyl]methoxy]azetidine-1-carboxamide
CID 171493849
3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidine;hydrochloride
CID 68902343
3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-methyl-N-pentylazetidine-1-carboxamide
CID 11235898
N-(benzenesulfonyl)-3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidine-1-carboxamide
CID 68942165
3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-(3-ethoxypropyl)azetidine-1-carboxamide
CID 11166483
6-[[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid
CID 89474378
tert-butyl 4-[3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidine-1-carbonyl]-1,4-diazepane-1-carboxylate;3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-methyl-N-pentylazetidine-1-carboxamide
CID 158234864
N-tert-butyl-N-[(R)-(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]pyrrolidine-1-carboxamide
CID 87630410
1-benzhydryl-3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine
CID 68906138
propyl 6-[[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylate
CID 89474376

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]piperidin-1-yl]carbamic acid?
The IUPAC name of tert-butyl-[4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]piperidin-1-yl]carbamic acid (CID 68947794) is tert-butyl-[4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]piperidin-1-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]piperidin-1-yl]carbamic acid?
The canonical SMILES for tert-butyl-[4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]piperidin-1-yl]carbamic acid is CC(C)(C)N(C(=O)O)N1CCC(OC(c2ccc(Cl)cc2)c2ccccc2Cl)CC1.
What is the InChIKey of tert-butyl-[4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]piperidin-1-yl]carbamic acid?
The InChIKey is QHHRZKCYMFZXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Cl2N2O3/c1-23(2,3)27(22(28)29)26-14-12-18(13-15-26)30-21(16-8-10-17(24)11-9-16)19-6-4-5-7-20(19)25/h4-11,18,21H,12-15H2,1-3H3,(H,28,29).
What are the key properties of tert-butyl-[4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]piperidin-1-yl]carbamic acid?
tert-butyl-[4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]piperidin-1-yl]carbamic acid has a molecular weight of 451.39 g/mol, XLogP of 6.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]piperidin-1-yl]carbamic acid is sourced from PubChem (CID 68947794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).