tert-butyl N-[[3-[(1-methylpiperidin-3-yl)amino]phenyl]methyl]carbamate

C18H29N3O2 — CID 107244695

IUPACtert-butyl N-[[3-[(1-methylpiperidin-3-yl)amino]phenyl]methyl]carbamate
SMILESCN1CCCC(Nc2cccc(CNC(=O)OC(C)(C)C)c2)C1
InChIInChI=1S/C18H29N3O2/c1-18(2,3)23-17(22)19-12-14-7-5-8-15(11-14)20-16-9-6-10-21(4)13-16/h5,7-8,11,16,20H,6,9-10,12-13H2,1-4H3,(H,19,22)
InChIKeyQPQQJESBYMQIEB-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.22
Rot. Bonds4

About tert-butyl N-[[3-[(1-methylpiperidin-3-yl)amino]phenyl]methyl]carbamate

tert-butyl N-[[3-[(1-methylpiperidin-3-yl)amino]phenyl]methyl]carbamate (PubChem CID 107244695) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is tert-butyl N-[[3-[(1-methylpiperidin-3-yl)amino]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-[(1-methylpiperidin-3-yl)amino]phenyl]methyl]carbamate
PubChem CID107244695
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Nametert-butyl N-[[3-[(1-methylpiperidin-3-yl)amino]phenyl]methyl]carbamate
SMILESCN1CCCC(Nc2cccc(CNC(=O)OC(C)(C)C)c2)C1
InChIInChI=1S/C18H29N3O2/c1-18(2,3)23-17(22)19-12-14-7-5-8-15(11-14)20-16-9-6-10-21(4)13-16/h5,7-8,11,16,20H,6,9-10,12-13H2,1-4H3,(H,19,22)
InChIKeyQPQQJESBYMQIEB-UHFFFAOYSA-N
XLogP3.22
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[3-(cycloheptylamino)phenyl]methyl]carbamate
CID 107244664
tert-butyl N-[[3-(piperidin-3-ylamino)phenyl]methyl]carbamate
CID 107244669
tert-butyl N-[[3-(oxepan-4-ylamino)phenyl]methyl]carbamate
CID 103936436
tert-butyl N-[[3-(cyclobutylmethylamino)phenyl]methyl]carbamate
CID 107244633
tert-butyl N-[[3-[(3-propan-2-ylcyclobutyl)amino]phenyl]methyl]carbamate
CID 107244643
tert-butyl N-[[3-(dicyclopropylmethylamino)phenyl]methyl]carbamate
CID 103936435
tert-butyl N-[5-[(1-methylpiperidin-3-yl)amino]-2-pyridinyl]carbamate
CID 107243155
[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-[[3-[(2-cyclopentylacetyl)amino]phenyl]methylamino]-3-oxopropyl]carbamate
CID 108921459
tert-butyl N-[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]phenyl]methyl]carbamate
CID 95302565
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-[(1-methylpiperidin-3-yl)amino]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-[(1-methylpiperidin-3-yl)amino]phenyl]methyl]carbamate (CID 107244695) is tert-butyl N-[[3-[(1-methylpiperidin-3-yl)amino]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-[(1-methylpiperidin-3-yl)amino]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-[(1-methylpiperidin-3-yl)amino]phenyl]methyl]carbamate is CN1CCCC(Nc2cccc(CNC(=O)OC(C)(C)C)c2)C1.
What is the InChIKey of tert-butyl N-[[3-[(1-methylpiperidin-3-yl)amino]phenyl]methyl]carbamate?
The InChIKey is QPQQJESBYMQIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-18(2,3)23-17(22)19-12-14-7-5-8-15(11-14)20-16-9-6-10-21(4)13-16/h5,7-8,11,16,20H,6,9-10,12-13H2,1-4H3,(H,19,22).
What are the key properties of tert-butyl N-[[3-[(1-methylpiperidin-3-yl)amino]phenyl]methyl]carbamate?
tert-butyl N-[[3-[(1-methylpiperidin-3-yl)amino]phenyl]methyl]carbamate has a molecular weight of 319.45 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-[(1-methylpiperidin-3-yl)amino]phenyl]methyl]carbamate is sourced from PubChem (CID 107244695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).