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

C19H29N3O3 — CID 139989028

IUPACtert-butyl 4-[[4-(methylcarbamoylamino)phenyl]methyl]piperidine-1-carboxylate
SMILESCNC(=O)Nc1ccc(CC2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C19H29N3O3/c1-19(2,3)25-18(24)22-11-9-15(10-12-22)13-14-5-7-16(8-6-14)21-17(23)20-4/h5-8,15H,9-13H2,1-4H3,(H2,20,21,23)
InChIKeySJYFPAKVPXDFRH-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.63
Rot. Bonds3

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

tert-butyl 4-[[4-(methylcarbamoylamino)phenyl]methyl]piperidine-1-carboxylate (PubChem CID 139989028) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is tert-butyl 4-[[4-(methylcarbamoylamino)phenyl]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[4-(methylcarbamoylamino)phenyl]methyl]piperidine-1-carboxylate
PubChem CID139989028
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Nametert-butyl 4-[[4-(methylcarbamoylamino)phenyl]methyl]piperidine-1-carboxylate
SMILESCNC(=O)Nc1ccc(CC2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C19H29N3O3/c1-19(2,3)25-18(24)22-11-9-15(10-12-22)13-14-5-7-16(8-6-14)21-17(23)20-4/h5-8,15H,9-13H2,1-4H3,(H2,20,21,23)
InChIKeySJYFPAKVPXDFRH-UHFFFAOYSA-N
XLogP3.63
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-[[4-(methylcarbamoylamino)phenyl]methyl]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-(dimethylamino)phenyl]methyl]piperidine-1-carboxylate
CID 139989102
tert-butyl 4-[[[amino-(4-ethylanilino)methylidene]amino]methyl]piperidine-1-carboxylate;hydroiodide
CID 111063013
tert-butyl 4-[(3-tert-butylphenyl)methyl]piperidine-1-carboxylate
CID 10735287
tert-butyl N-[4-[[2-(4-benzylpiperidin-1-yl)-2-oxoacetyl]amino]phenyl]carbamate
CID 69100254
tert-butyl 4-[(4-bromoanilino)methyl]piperidine-1-carboxylate
CID 57355338
tert-butyl 3-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate
CID 170629812
tert-butyl 4-[(4-fluorophenyl)carbamoylamino]oxypiperidine-1-carboxylate
CID 86652735
tert-butyl 4-(1-benzothiophen-5-ylmethyl)piperidine-1-carboxylate
CID 10496741
tert-butyl 4-[[4-[2-hydroxyethyl(methylsulfonyl)amino]phenyl]methyl]piperidine-1-carboxylate
CID 139989136
tert-butyl 4-[2-(4-methylphenyl)ethyl]piperidine-1-carboxylate
CID 65142715
tert-butyl 4-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]piperidine-1-carboxylate
CID 79699897
tert-butyl 4-[(2S)-2-amino-3-(methylamino)-3-oxopropyl]piperidine-1-carboxylate
CID 67861069

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[4-(methylcarbamoylamino)phenyl]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[4-(methylcarbamoylamino)phenyl]methyl]piperidine-1-carboxylate (CID 139989028) is tert-butyl 4-[[4-(methylcarbamoylamino)phenyl]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[4-(methylcarbamoylamino)phenyl]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[4-(methylcarbamoylamino)phenyl]methyl]piperidine-1-carboxylate is CNC(=O)Nc1ccc(CC2CCN(C(=O)OC(C)(C)C)CC2)cc1.
What is the InChIKey of tert-butyl 4-[[4-(methylcarbamoylamino)phenyl]methyl]piperidine-1-carboxylate?
The InChIKey is SJYFPAKVPXDFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-19(2,3)25-18(24)22-11-9-15(10-12-22)13-14-5-7-16(8-6-14)21-17(23)20-4/h5-8,15H,9-13H2,1-4H3,(H2,20,21,23).
What are the key properties of tert-butyl 4-[[4-(methylcarbamoylamino)phenyl]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[4-(methylcarbamoylamino)phenyl]methyl]piperidine-1-carboxylate has a molecular weight of 347.46 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[4-(methylcarbamoylamino)phenyl]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 139989028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).