tert-butyl N-(3-amino-4-pyridinyl)-N-(4,4-difluoropiperidin-3-yl)carbamate

C15H22F2N4O2 — CID 90810829

IUPACtert-butyl N-(3-amino-4-pyridinyl)-N-(4,4-difluoropiperidin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)N(c1ccncc1N)C1CNCCC1(F)F
InChIInChI=1S/C15H22F2N4O2/c1-14(2,3)23-13(22)21(11-4-6-19-8-10(11)18)12-9-20-7-5-15(12,16)17/h4,6,8,12,20H,5,7,9,18H2,1-3H3
InChIKeySOBPAMVBSFAAIR-UHFFFAOYSA-N
MW328.36 g/mol
LogP2.40
Rot. Bonds2

About tert-butyl N-(3-amino-4-pyridinyl)-N-(4,4-difluoropiperidin-3-yl)carbamate

tert-butyl N-(3-amino-4-pyridinyl)-N-(4,4-difluoropiperidin-3-yl)carbamate (PubChem CID 90810829) has the molecular formula C15H22F2N4O2 and a molecular weight of 328.36 g/mol. Its IUPAC name is tert-butyl N-(3-amino-4-pyridinyl)-N-(4,4-difluoropiperidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-amino-4-pyridinyl)-N-(4,4-difluoropiperidin-3-yl)carbamate
PubChem CID90810829
Molecular FormulaC15H22F2N4O2
Molecular Weight328.36 g/mol
Exact Mass328.17
IUPAC Nametert-butyl N-(3-amino-4-pyridinyl)-N-(4,4-difluoropiperidin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)N(c1ccncc1N)C1CNCCC1(F)F
InChIInChI=1S/C15H22F2N4O2/c1-14(2,3)23-13(22)21(11-4-6-19-8-10(11)18)12-9-20-7-5-15(12,16)17/h4,6,8,12,20H,5,7,9,18H2,1-3H3
InChIKeySOBPAMVBSFAAIR-UHFFFAOYSA-N
XLogP2.40
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-(3-amino-4-pyridinyl)-N-(4,4-difluoropiperidin-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 N-(3-amino-4-pyridinyl)-N-pyrrolidin-3-ylcarbamate
CID 69045153
(3-amino-4-pyridinyl)-[5-(trifluoromethyl)piperidin-3-yl]carbamic acid
CID 68631477
tert-butyl N-[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxypiperidin-3-yl]-N-(3-nitro-4-pyridinyl)carbamate
CID 67130201
tert-butyl N-[1-(3-amino-4-pyridinyl)-3-methylcyclohexyl]carbamate
CID 174727068
tert-butyl N-(2-amino-4-methylphenyl)-N-piperidin-4-ylcarbamate
CID 69046351
tert-butyl N-methyl-N-(4-pyridin-3-ylpiperidin-4-yl)carbamate
CID 121230488
tert-butyl N-[1-(3-amino-4-pyridinyl)-4,4-difluoropiperidin-3-yl]carbamate
CID 77419826
tert-butyl N-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-N-(2-oxoethyl)carbamate
CID 87693406
tert-butyl N-(6-bromoquinolin-4-yl)-N-piperidin-3-ylcarbamate
CID 67309213
tert-butyl N-pyrrolidin-3-yl-N-[4-(trifluoromethyl)phenyl]carbamate
CID 156774724
tert-butyl N-phenyl-N-[(3S)-pyrrolidin-3-yl]carbamate
CID 129353875
ethyl (E)-3-[6-[(2-methylpropan-2-yl)oxycarbonyl-[(3R)-pyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enoate;dihydrochloride
CID 86603639

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-amino-4-pyridinyl)-N-(4,4-difluoropiperidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(3-amino-4-pyridinyl)-N-(4,4-difluoropiperidin-3-yl)carbamate (CID 90810829) is tert-butyl N-(3-amino-4-pyridinyl)-N-(4,4-difluoropiperidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3-amino-4-pyridinyl)-N-(4,4-difluoropiperidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(3-amino-4-pyridinyl)-N-(4,4-difluoropiperidin-3-yl)carbamate is CC(C)(C)OC(=O)N(c1ccncc1N)C1CNCCC1(F)F.
What is the InChIKey of tert-butyl N-(3-amino-4-pyridinyl)-N-(4,4-difluoropiperidin-3-yl)carbamate?
The InChIKey is SOBPAMVBSFAAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N4O2/c1-14(2,3)23-13(22)21(11-4-6-19-8-10(11)18)12-9-20-7-5-15(12,16)17/h4,6,8,12,20H,5,7,9,18H2,1-3H3.
What are the key properties of tert-butyl N-(3-amino-4-pyridinyl)-N-(4,4-difluoropiperidin-3-yl)carbamate?
tert-butyl N-(3-amino-4-pyridinyl)-N-(4,4-difluoropiperidin-3-yl)carbamate has a molecular weight of 328.36 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-amino-4-pyridinyl)-N-(4,4-difluoropiperidin-3-yl)carbamate is sourced from PubChem (CID 90810829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).