tert-butyl 4-[(4-methylphenoxy)methylcarbamoylamino]piperidine-1-carboxylate

C19H29N3O4 — CID 108893156

IUPACtert-butyl 4-[(4-methylphenoxy)methylcarbamoylamino]piperidine-1-carboxylate
SMILESCc1ccc(OCNC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C19H29N3O4/c1-14-5-7-16(8-6-14)25-13-20-17(23)21-15-9-11-22(12-10-15)18(24)26-19(2,3)4/h5-8,15H,9-13H2,1-4H3,(H2,20,21,23)
InChIKeyIZXNTRBXTZYZPO-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.03
Rot. Bonds4

About tert-butyl 4-[(4-methylphenoxy)methylcarbamoylamino]piperidine-1-carboxylate

tert-butyl 4-[(4-methylphenoxy)methylcarbamoylamino]piperidine-1-carboxylate (PubChem CID 108893156) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is tert-butyl 4-[(4-methylphenoxy)methylcarbamoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(4-methylphenoxy)methylcarbamoylamino]piperidine-1-carboxylate
PubChem CID108893156
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Nametert-butyl 4-[(4-methylphenoxy)methylcarbamoylamino]piperidine-1-carboxylate
SMILESCc1ccc(OCNC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C19H29N3O4/c1-14-5-7-16(8-6-14)25-13-20-17(23)21-15-9-11-22(12-10-15)18(24)26-19(2,3)4/h5-8,15H,9-13H2,1-4H3,(H2,20,21,23)
InChIKeyIZXNTRBXTZYZPO-UHFFFAOYSA-N
XLogP3.03
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-[3-(4-methylphenoxy)propylcarbamoylamino]piperidine-1-carboxylate
CID 108881535
tert-butyl 4-[(4-methylphenyl)methylcarbamoylamino]piperidine-1-carboxylate
CID 108899188
tert-butyl 4-[[2-(4-methylphenyl)-2-oxoacetyl]amino]piperidine-1-carboxylate
CID 51093785
tert-butyl 4-[2-(3-methylphenyl)ethylcarbamoylamino]piperidine-1-carboxylate
CID 108900871
tert-butyl 4-[3-(4-methylphenyl)prop-2-enoylamino]piperidine-1-carboxylate
CID 76868527
tert-butyl 4-[[2-(2,6-dimethylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 55986374
tert-butyl 4-[(3-methoxyphenyl)methylcarbamoylamino]piperidine-1-carboxylate
CID 108898443
tert-butyl N-[2-[4-[4-(4-methylphenoxy)butanoylamino]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108553401
ethyl 4-[2-(4-tert-butylphenoxy)ethylcarbamoylamino]piperidine-1-carboxylate
CID 112972858
1-(1,1-dioxothiolan-3-yl)-3-[(4-methylphenoxy)methyl]urea
CID 108892990
tert-butyl 4-(benzoylcarbamoylamino)piperidine-1-carboxylate
CID 58602980
tert-butyl 4-[[methyl-[2-(4-methylphenoxy)acetyl]amino]methyl]piperidine-1-carboxylate
CID 110601443

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(4-methylphenoxy)methylcarbamoylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(4-methylphenoxy)methylcarbamoylamino]piperidine-1-carboxylate (CID 108893156) is tert-butyl 4-[(4-methylphenoxy)methylcarbamoylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(4-methylphenoxy)methylcarbamoylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(4-methylphenoxy)methylcarbamoylamino]piperidine-1-carboxylate is Cc1ccc(OCNC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)cc1.
What is the InChIKey of tert-butyl 4-[(4-methylphenoxy)methylcarbamoylamino]piperidine-1-carboxylate?
The InChIKey is IZXNTRBXTZYZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-14-5-7-16(8-6-14)25-13-20-17(23)21-15-9-11-22(12-10-15)18(24)26-19(2,3)4/h5-8,15H,9-13H2,1-4H3,(H2,20,21,23).
What are the key properties of tert-butyl 4-[(4-methylphenoxy)methylcarbamoylamino]piperidine-1-carboxylate?
tert-butyl 4-[(4-methylphenoxy)methylcarbamoylamino]piperidine-1-carboxylate has a molecular weight of 363.46 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(4-methylphenoxy)methylcarbamoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 108893156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).