N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine

C25H30F2N4O3 — CID 154685074

IUPACN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
SMILESCOc1ccc2nccc(CCN3CCC(NCc4ccc(OC(F)F)c(OC)c4)CC3)c2n1
InChIInChI=1S/C25H30F2N4O3/c1-32-22-15-17(3-5-21(22)34-25(26)27)16-29-19-9-13-31(14-10-19)12-8-18-7-11-28-20-4-6-23(33-2)30-24(18)20/h3-7,11,15,19,25,29H,8-10,12-14,16H2,1-2H3
InChIKeyBEBIEDVCCHCKCB-UHFFFAOYSA-N
MW472.54 g/mol
LogP4.05
Rot. Bonds10

About N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine (PubChem CID 154685074) has the molecular formula C25H30F2N4O3 and a molecular weight of 472.54 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
PubChem CID154685074
Molecular FormulaC25H30F2N4O3
Molecular Weight472.54 g/mol
Exact Mass472.23
IUPAC NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
SMILESCOc1ccc2nccc(CCN3CCC(NCc4ccc(OC(F)F)c(OC)c4)CC3)c2n1
InChIInChI=1S/C25H30F2N4O3/c1-32-22-15-17(3-5-21(22)34-25(26)27)16-29-19-9-13-31(14-10-19)12-8-18-7-11-28-20-4-6-23(33-2)30-24(18)20/h3-7,11,15,19,25,29H,8-10,12-14,16H2,1-2H3
InChIKeyBEBIEDVCCHCKCB-UHFFFAOYSA-N
XLogP4.05
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Coralyne chloride
CID 23306
6-Methoxy-8-[(3-aminopropyl)amino]-4-methyl-5-(3-trifluoromethylphenyloxy)quinoline
CID 16048421
Benzyl-(6,7-dimethoxy-quinolin-3-yl)-amine
CID 10424517
Benzo[c][2,7]naphthyridine, 32
CID 44236930
8,9-Dimethoxy-2-{5-[(3-methoxyphenyl)amino]pyridin-3-yl}benzo[c][2,7]naphthyridin-4-amine
CID 44236932
Benzo[c][2,7]naphthyridine, 35
CID 44236933
Benzo[c][2,7]naphthyridine, 42
CID 44236940
N-[(4-chlorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
CID 154685085
Coralyne
CID 23307
2-[2-(3,4-Dimethoxyphenyl)vinyl]quinoxaline
CID 5876917
Papaveraldylamine
CID 38370
N-[2-[5-[5-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]pentyl]triazol-1-yl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine
CID 11204419

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine?
The IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine (CID 154685074) is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine is COc1ccc2nccc(CCN3CCC(NCc4ccc(OC(F)F)c(OC)c4)CC3)c2n1.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine?
The InChIKey is BEBIEDVCCHCKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F2N4O3/c1-32-22-15-17(3-5-21(22)34-25(26)27)16-29-19-9-13-31(14-10-19)12-8-18-7-11-28-20-4-6-23(33-2)30-24(18)20/h3-7,11,15,19,25,29H,8-10,12-14,16H2,1-2H3.
What are the key properties of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine?
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine has a molecular weight of 472.54 g/mol, XLogP of 4.05, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 154685074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).