tert-butyl N-[4-[1-[(2,6-dichlorophenyl)carbamoyl]piperidin-4-yl]phenyl]carbamate

C23H27Cl2N3O3 — CID 59419458

IUPACtert-butyl N-[4-[1-[(2,6-dichlorophenyl)carbamoyl]piperidin-4-yl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C2CCN(C(=O)Nc3c(Cl)cccc3Cl)CC2)cc1
InChIInChI=1S/C23H27Cl2N3O3/c1-23(2,3)31-22(30)26-17-9-7-15(8-10-17)16-11-13-28(14-12-16)21(29)27-20-18(24)5-4-6-19(20)25/h4-10,16H,11-14H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyNJLIKSMLFUNJAS-UHFFFAOYSA-N
MW464.39 g/mol
LogP6.75
Rot. Bonds3

About tert-butyl N-[4-[1-[(2,6-dichlorophenyl)carbamoyl]piperidin-4-yl]phenyl]carbamate

tert-butyl N-[4-[1-[(2,6-dichlorophenyl)carbamoyl]piperidin-4-yl]phenyl]carbamate (PubChem CID 59419458) has the molecular formula C23H27Cl2N3O3 and a molecular weight of 464.39 g/mol. Its IUPAC name is tert-butyl N-[4-[1-[(2,6-dichlorophenyl)carbamoyl]piperidin-4-yl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[1-[(2,6-dichlorophenyl)carbamoyl]piperidin-4-yl]phenyl]carbamate
PubChem CID59419458
Molecular FormulaC23H27Cl2N3O3
Molecular Weight464.39 g/mol
Exact Mass463.14
IUPAC Nametert-butyl N-[4-[1-[(2,6-dichlorophenyl)carbamoyl]piperidin-4-yl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C2CCN(C(=O)Nc3c(Cl)cccc3Cl)CC2)cc1
InChIInChI=1S/C23H27Cl2N3O3/c1-23(2,3)31-22(30)26-17-9-7-15(8-10-17)16-11-13-28(14-12-16)21(29)27-20-18(24)5-4-6-19(20)25/h4-10,16H,11-14H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyNJLIKSMLFUNJAS-UHFFFAOYSA-N
XLogP6.75
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.39
LogP ≤ 56.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[4-[1-[(2,6-dichlorophenyl)carbamoyl]piperidin-4-yl]phenyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[1-[4-[1-[(2,6-dichlorophenyl)carbamoyl]piperidin-4-yl]anilino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 58258657
tert-butyl N-[4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]phenyl]carbamate
CID 122170309
4-[4-[(2-cyclohexylacetyl)amino]phenyl]-N-(2,6-dichlorophenyl)piperidine-1-carboxamide
CID 58258445
methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]cyclohexane-1-carboxylate
CID 177318406
tert-butyl (3R)-3-[4-(phenoxycarbonylamino)phenyl]pyrrolidine-1-carboxylate
CID 175718295
tert-butyl (3S)-3-[4-(phenoxycarbonylamino)phenyl]pyrrolidine-1-carboxylate
CID 67238679
3,5-dichloro-4-[[4-[4-(4-phenylbutanoylamino)phenyl]piperidine-1-carbonyl]amino]benzoic acid
CID 58258658
tert-butyl N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]carbamate
CID 112984524
tert-butyl N-[1-[(4-propan-2-ylphenyl)carbamoyl]piperidin-4-yl]carbamate
CID 46262425
tert-butyl 4-[4-[(N'-methylcarbamimidoyl)amino]phenyl]piperidine-1-carboxylate
CID 144572137
N-(2,6-dichlorophenyl)-4-methylpiperazine-1-carboxamide
CID 108988464
tert-butyl 3-[4-[(4-chlorobenzoyl)amino]phenyl]pyrrolidine-1-carboxylate
CID 66705849

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[1-[(2,6-dichlorophenyl)carbamoyl]piperidin-4-yl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[1-[(2,6-dichlorophenyl)carbamoyl]piperidin-4-yl]phenyl]carbamate (CID 59419458) is tert-butyl N-[4-[1-[(2,6-dichlorophenyl)carbamoyl]piperidin-4-yl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[1-[(2,6-dichlorophenyl)carbamoyl]piperidin-4-yl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[1-[(2,6-dichlorophenyl)carbamoyl]piperidin-4-yl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(C2CCN(C(=O)Nc3c(Cl)cccc3Cl)CC2)cc1.
What is the InChIKey of tert-butyl N-[4-[1-[(2,6-dichlorophenyl)carbamoyl]piperidin-4-yl]phenyl]carbamate?
The InChIKey is NJLIKSMLFUNJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27Cl2N3O3/c1-23(2,3)31-22(30)26-17-9-7-15(8-10-17)16-11-13-28(14-12-16)21(29)27-20-18(24)5-4-6-19(20)25/h4-10,16H,11-14H2,1-3H3,(H,26,30)(H,27,29).
What are the key properties of tert-butyl N-[4-[1-[(2,6-dichlorophenyl)carbamoyl]piperidin-4-yl]phenyl]carbamate?
tert-butyl N-[4-[1-[(2,6-dichlorophenyl)carbamoyl]piperidin-4-yl]phenyl]carbamate has a molecular weight of 464.39 g/mol, XLogP of 6.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[1-[(2,6-dichlorophenyl)carbamoyl]piperidin-4-yl]phenyl]carbamate is sourced from PubChem (CID 59419458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).