tert-butyl N-[[3-(piperidin-3-ylamino)phenyl]methyl]carbamate

C17H27N3O2 — CID 107244669

IUPACtert-butyl N-[[3-(piperidin-3-ylamino)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cccc(NC2CCCNC2)c1
InChIInChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)19-11-13-6-4-7-14(10-13)20-15-8-5-9-18-12-15/h4,6-7,10,15,18,20H,5,8-9,11-12H2,1-3H3,(H,19,21)
InChIKeyYQEKGPOKQWFAAB-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.88
Rot. Bonds4

About tert-butyl N-[[3-(piperidin-3-ylamino)phenyl]methyl]carbamate

tert-butyl N-[[3-(piperidin-3-ylamino)phenyl]methyl]carbamate (PubChem CID 107244669) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is tert-butyl N-[[3-(piperidin-3-ylamino)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-(piperidin-3-ylamino)phenyl]methyl]carbamate
PubChem CID107244669
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Nametert-butyl N-[[3-(piperidin-3-ylamino)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cccc(NC2CCCNC2)c1
InChIInChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)19-11-13-6-4-7-14(10-13)20-15-8-5-9-18-12-15/h4,6-7,10,15,18,20H,5,8-9,11-12H2,1-3H3,(H,19,21)
InChIKeyYQEKGPOKQWFAAB-UHFFFAOYSA-N
XLogP2.88
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[3-(cycloheptylamino)phenyl]methyl]carbamate
CID 107244664
tert-butyl N-[[3-[(1-methylpiperidin-3-yl)amino]phenyl]methyl]carbamate
CID 107244695
tert-butyl N-[[3-(oxepan-4-ylamino)phenyl]methyl]carbamate
CID 103936436
tert-butyl N-[[3-[(3-propan-2-ylcyclobutyl)amino]phenyl]methyl]carbamate
CID 107244643
tert-butyl N-[[3-(cyclobutylmethylamino)phenyl]methyl]carbamate
CID 107244633
tert-butyl N-[[3-(dicyclopropylmethylamino)phenyl]methyl]carbamate
CID 103936435
tert-butyl N-[(3-morpholin-2-ylphenyl)methyl]carbamate
CID 117472224
[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbamic acid
CID 143553778
tert-butyl N-[[3-[(3-methoxy-3-methylbutyl)amino]phenyl]methyl]carbamate
CID 107244699
tert-butyl N-[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]phenyl]methyl]carbamate
CID 95302565
tert-butyl N-[[3-[(piperazine-1-carbonylamino)methyl]phenyl]methyl]carbamate
CID 56611439
tert-butyl N-[[3-(2,3-dimethylbutan-2-yloxyamino)phenyl]methyl]carbamate
CID 166686967

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-(piperidin-3-ylamino)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-(piperidin-3-ylamino)phenyl]methyl]carbamate (CID 107244669) is tert-butyl N-[[3-(piperidin-3-ylamino)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-(piperidin-3-ylamino)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-(piperidin-3-ylamino)phenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1cccc(NC2CCCNC2)c1.
What is the InChIKey of tert-butyl N-[[3-(piperidin-3-ylamino)phenyl]methyl]carbamate?
The InChIKey is YQEKGPOKQWFAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)19-11-13-6-4-7-14(10-13)20-15-8-5-9-18-12-15/h4,6-7,10,15,18,20H,5,8-9,11-12H2,1-3H3,(H,19,21).
What are the key properties of tert-butyl N-[[3-(piperidin-3-ylamino)phenyl]methyl]carbamate?
tert-butyl N-[[3-(piperidin-3-ylamino)phenyl]methyl]carbamate has a molecular weight of 305.42 g/mol, XLogP of 2.88, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-(piperidin-3-ylamino)phenyl]methyl]carbamate is sourced from PubChem (CID 107244669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).