tert-butyl 4-[[2-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-methylamino]piperidine-1-carboxylate

C25H36N4O4 — CID 67276766

IUPACtert-butyl 4-[[2-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-methylamino]piperidine-1-carboxylate
SMILESCOc1ccc(CNc2ncccc2N(C)C2CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1
InChIInChI=1S/C25H36N4O4/c1-25(2,3)33-24(30)29-14-11-19(12-15-29)28(4)21-8-7-13-26-23(21)27-17-18-9-10-20(31-5)16-22(18)32-6/h7-10,13,16,19H,11-12,14-15,17H2,1-6H3,(H,26,27)
InChIKeyVTKMXQRGXPTQKV-UHFFFAOYSA-N
MW456.59 g/mol
LogP4.55
Rot. Bonds7

About tert-butyl 4-[[2-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-methylamino]piperidine-1-carboxylate

tert-butyl 4-[[2-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-methylamino]piperidine-1-carboxylate (PubChem CID 67276766) has the molecular formula C25H36N4O4 and a molecular weight of 456.59 g/mol. Its IUPAC name is tert-butyl 4-[[2-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-methylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[2-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-methylamino]piperidine-1-carboxylate
PubChem CID67276766
Molecular FormulaC25H36N4O4
Molecular Weight456.59 g/mol
Exact Mass456.27
IUPAC Nametert-butyl 4-[[2-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-methylamino]piperidine-1-carboxylate
SMILESCOc1ccc(CNc2ncccc2N(C)C2CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1
InChIInChI=1S/C25H36N4O4/c1-25(2,3)33-24(30)29-14-11-19(12-15-29)28(4)21-8-7-13-26-23(21)27-17-18-9-10-20(31-5)16-22(18)32-6/h7-10,13,16,19H,11-12,14-15,17H2,1-6H3,(H,26,27)
InChIKeyVTKMXQRGXPTQKV-UHFFFAOYSA-N
XLogP4.55
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[[2-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-methylamino]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[[2-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]methylamino]piperidine-1-carboxylate;ethane;methanethiol
CID 143001406
2-N-[(2,4-dimethoxyphenyl)methyl]-3-N-methyl-3-N-piperidin-4-ylpyridine-2,3-diamine
CID 174573113
tert-butyl 4-[4-[(2,4-dimethoxyphenyl)methylamino]-3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate
CID 142515995
tert-butyl (3S)-3-[(2,4-dimethoxyphenyl)methyl-hydroxyamino]pyrrolidine-1-carboxylate
CID 146278733
tert-butyl 3-[4-[(2,4-dimethoxyphenyl)methylamino]-3-iodopyrazolo[4,3-c]pyridin-1-yl]azetidine-1-carboxylate
CID 142749837
2-[(2,4-dimethoxyphenyl)methylamino]-N-methylpyridine-3-carboxamide
CID 133319491
2-[2-methoxy-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyphenyl]acetic acid
CID 18914169
3-chloro-N-[(2,4-dimethoxyphenyl)methyl]pyridin-2-amine
CID 55189857
1-N-[(2,4-dimethoxyphenyl)methyl]-5-N-ethyl-5-N-methylisoquinoline-1,5-diamine;ethane
CID 164902212
tert-butyl 4-[[[2-[N-[(2,4-dimethoxyphenyl)methyl]-2-(trifluoromethyl)anilino]-3-(4-methoxyphenyl)-3-oxopropanoyl]amino]methyl]piperidine-1-carboxylate
CID 22135148
tert-butyl 1-[[[1-[(2,4-dimethoxyphenyl)methylamino]isoquinolin-5-yl]-methylamino]methyl]-4-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxymethyl]-2-azabicyclo[2.1.1]hexane-2-carboxylate
CID 170948478
tert-butyl 4-[methyl-[3-(2-methylbutan-2-ylamino)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 10762096

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[2-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-methylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[2-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-methylamino]piperidine-1-carboxylate (CID 67276766) is tert-butyl 4-[[2-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-methylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[2-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-methylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[2-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-methylamino]piperidine-1-carboxylate is COc1ccc(CNc2ncccc2N(C)C2CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1.
What is the InChIKey of tert-butyl 4-[[2-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-methylamino]piperidine-1-carboxylate?
The InChIKey is VTKMXQRGXPTQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O4/c1-25(2,3)33-24(30)29-14-11-19(12-15-29)28(4)21-8-7-13-26-23(21)27-17-18-9-10-20(31-5)16-22(18)32-6/h7-10,13,16,19H,11-12,14-15,17H2,1-6H3,(H,26,27).
What are the key properties of tert-butyl 4-[[2-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-methylamino]piperidine-1-carboxylate?
tert-butyl 4-[[2-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-methylamino]piperidine-1-carboxylate has a molecular weight of 456.59 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[2-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-methylamino]piperidine-1-carboxylate is sourced from PubChem (CID 67276766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).