1-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]urea

C25H31N5O4 — CID 118713214

IUPAC1-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)NC2CCN(CCn3c(=O)ccc4ncc(OC)cc43)CC2)cc1
InChIInChI=1S/C25H31N5O4/c1-33-20-5-3-18(4-6-20)16-27-25(32)28-19-9-11-29(12-10-19)13-14-30-23-15-21(34-2)17-26-22(23)7-8-24(30)31/h3-8,15,17,19H,9-14,16H2,1-2H3,(H2,27,28,32)
InChIKeyAROMBTSKYCTPLO-UHFFFAOYSA-N
MW465.55 g/mol
LogP2.38
Rot. Bonds8

About 1-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]urea

1-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]urea (PubChem CID 118713214) has the molecular formula C25H31N5O4 and a molecular weight of 465.55 g/mol. Its IUPAC name is 1-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]urea
PubChem CID118713214
Molecular FormulaC25H31N5O4
Molecular Weight465.55 g/mol
Exact Mass465.24
IUPAC Name1-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)NC2CCN(CCn3c(=O)ccc4ncc(OC)cc43)CC2)cc1
InChIInChI=1S/C25H31N5O4/c1-33-20-5-3-18(4-6-20)16-27-25(32)28-19-9-11-29(12-10-19)13-14-30-23-15-21(34-2)17-26-22(23)7-8-24(30)31/h3-8,15,17,19H,9-14,16H2,1-2H3,(H2,27,28,32)
InChIKeyAROMBTSKYCTPLO-UHFFFAOYSA-N
XLogP2.38
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-((4-(((3,4-Dihydro-2H-pyrano(2,3-c)pyridin-6-yl)methyl)amino)-1-piperidinyl)methyl)-1,2-dihydro-3H,8H-2a,5,8a-triazaacenaphthylene-3,8-dione
CID 25101874
Tak-915
CID 72190879
1-(2-{4-[(2,3-Dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)amino]piperidin-1-yl}ethyl)-7-methoxyquinolin-2(1H)-one
CID 11983362
1-(6-(2-Methoxyphenyl)pyridin-3-yl)-3-(4-(piperidin-1-yl)butyl)urea
CID 44611611
6-[[[4-[(1S)-1-amino-2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 46205018
6-((((1R,4r)-4-((R)-1-Amino-2-(7-methoxy-2-oxo-1,5-naphthyridin-1(2H)-yl)ethyl)cyclohexyl)amino)methyl)-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 46205341
1-[2-[4-(2,3-Dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-4-methylquinazolin-2-one
CID 56834575
1-[2-(4-{[(3,4-Dichlorophenyl)methyl]amino}-1-piperidinyl)ethyl]-7-(methyloxy)-1,5-naphthyridin-2(1h)-one
CID 58579325
7-methoxy-N-((1S)-2-methoxy-1-(4-(trifluoromethoxy)phenyl)ethyl)-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide
CID 72190880
3-({4-[({2H,3H,4H-pyrano[2,3-c]pyridin-6-yl}methyl)amino]piperidin-1-yl}methyl)-1,4,7-triazatricyclo[6.3.1.0,4,12]dodeca-6,8(12),9-triene-5,11-dione
CID 77528802
7-methoxy-N-(2-methoxy-1-(4-(trifluoromethoxy)phenyl)ethyl)-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide
CID 117948953
N-((1R)-1-(3-fluoro-4-(trifluoromethoxy)phenyl)-2-methoxyethyl)-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide
CID 117949248

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]urea (CID 118713214) is 1-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]urea is COc1ccc(CNC(=O)NC2CCN(CCn3c(=O)ccc4ncc(OC)cc43)CC2)cc1.
What is the InChIKey of 1-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]urea?
The InChIKey is AROMBTSKYCTPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O4/c1-33-20-5-3-18(4-6-20)16-27-25(32)28-19-9-11-29(12-10-19)13-14-30-23-15-21(34-2)17-26-22(23)7-8-24(30)31/h3-8,15,17,19H,9-14,16H2,1-2H3,(H2,27,28,32).
What are the key properties of 1-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]urea?
1-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]urea has a molecular weight of 465.55 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]urea is sourced from PubChem (CID 118713214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).