tert-butyl N-[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]furan-3-yl]carbamate

C21H25ClN2O5 — CID 166338901

IUPACtert-butyl N-[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]furan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccoc1C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H25ClN2O5/c1-21(2,3)29-20(26)23-17-10-13-27-18(17)19(25)24-11-8-16(9-12-24)28-15-6-4-14(22)5-7-15/h4-7,10,13,16H,8-9,11-12H2,1-3H3,(H,23,26)
InChIKeyQUXQIVMJDAWKLU-UHFFFAOYSA-N
MW420.89 g/mol
LogP4.96
Rot. Bonds4

About tert-butyl N-[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]furan-3-yl]carbamate

tert-butyl N-[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]furan-3-yl]carbamate (PubChem CID 166338901) has the molecular formula C21H25ClN2O5 and a molecular weight of 420.89 g/mol. Its IUPAC name is tert-butyl N-[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]furan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]furan-3-yl]carbamate
PubChem CID166338901
Molecular FormulaC21H25ClN2O5
Molecular Weight420.89 g/mol
Exact Mass420.15
IUPAC Nametert-butyl N-[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]furan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccoc1C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H25ClN2O5/c1-21(2,3)29-20(26)23-17-10-13-27-18(17)19(25)24-11-8-16(9-12-24)28-15-6-4-14(22)5-7-15/h4-7,10,13,16H,8-9,11-12H2,1-3H3,(H,23,26)
InChIKeyQUXQIVMJDAWKLU-UHFFFAOYSA-N
XLogP4.96
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.89
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]furan-3-yl]carbamate 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-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]piperidine-1-carboxylate
CID 23366945
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
N-[5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-2-methylphenyl]acetamide
CID 166281479
5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]furan-2-carbonitrile
CID 166281549
2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoacetic acid
CID 69100024
[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 67170363
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-chloro-2-pyridinyl)methanone
CID 166335688
1-benzofuran-2-yl-[4-(4-chlorophenoxy)piperidin-1-yl]methanone
CID 53235473
N-[[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide
CID 67168820
[4-(4-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 70764451
tert-butyl 4-[(2,6-dichloro-4-pyridinyl)oxy]piperidine-1-carboxylate
CID 139300514
tert-butyl N-[2-fluoro-5-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]phenyl]carbamate
CID 55967524

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]furan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]furan-3-yl]carbamate (CID 166338901) is tert-butyl N-[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]furan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]furan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]furan-3-yl]carbamate is CC(C)(C)OC(=O)Nc1ccoc1C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of tert-butyl N-[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]furan-3-yl]carbamate?
The InChIKey is QUXQIVMJDAWKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O5/c1-21(2,3)29-20(26)23-17-10-13-27-18(17)19(25)24-11-8-16(9-12-24)28-15-6-4-14(22)5-7-15/h4-7,10,13,16H,8-9,11-12H2,1-3H3,(H,23,26).
What are the key properties of tert-butyl N-[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]furan-3-yl]carbamate?
tert-butyl N-[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]furan-3-yl]carbamate has a molecular weight of 420.89 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]furan-3-yl]carbamate is sourced from PubChem (CID 166338901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).