1-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-methylphenyl)thiourea

C24H29N5O2S — CID 118712947

IUPAC1-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-methylphenyl)thiourea
SMILESCOc1cnc2ccc(=O)n(CCN3CCC(NC(=S)Nc4ccc(C)cc4)CC3)c2c1
InChIInChI=1S/C24H29N5O2S/c1-17-3-5-18(6-4-17)26-24(32)27-19-9-11-28(12-10-19)13-14-29-22-15-20(31-2)16-25-21(22)7-8-23(29)30/h3-8,15-16,19H,9-14H2,1-2H3,(H2,26,27,32)
InChIKeyKUIGMMIWUABSPI-UHFFFAOYSA-N
MW451.60 g/mol
LogP3.16
Rot. Bonds6

About 1-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-methylphenyl)thiourea

1-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-methylphenyl)thiourea (PubChem CID 118712947) has the molecular formula C24H29N5O2S and a molecular weight of 451.60 g/mol. Its IUPAC name is 1-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-methylphenyl)thiourea.

Molecular Properties

Compound Name1-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-methylphenyl)thiourea
PubChem CID118712947
Molecular FormulaC24H29N5O2S
Molecular Weight451.60 g/mol
Exact Mass451.20
IUPAC Name1-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-methylphenyl)thiourea
SMILESCOc1cnc2ccc(=O)n(CCN3CCC(NC(=S)Nc4ccc(C)cc4)CC3)c2c1
InChIInChI=1S/C24H29N5O2S/c1-17-3-5-18(6-4-17)26-24(32)27-19-9-11-28(12-10-19)13-14-29-22-15-20(31-2)16-25-21(22)7-8-23(29)30/h3-8,15-16,19H,9-14H2,1-2H3,(H2,26,27,32)
InChIKeyKUIGMMIWUABSPI-UHFFFAOYSA-N
XLogP3.16
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.60
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-{[(3,4-Dichlorophenyl)methyl]amino}-1-piperidinyl)ethyl]-7-(methyloxy)-1,5-naphthyridin-2(1h)-one
CID 58579325
N-(4-methylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
CID 90643566
2-(pyridin-3-yloxymethyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;hydrochloride
CID 90643567
N-(4-propan-2-ylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
CID 90643568
N-(4-phenylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
CID 90643580
5-[[[1-[2-(7-Methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methylpyridine-3-carbonitrile
CID 90644100
5-[[[(3S,4R)-3-fluoro-1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methylpyridine-3-carbonitrile
CID 90644111
1-[2-[4-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one
CID 91800611
4-chloro-N-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]benzamide
CID 91800637
1-(4-Fluorophenyl)-3-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea
CID 118712949
1-(4-Chlorophenyl)-3-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea
CID 118712950
1-[1-[2-(7-Methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-methoxyphenyl)urea
CID 118713201

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-methylphenyl)thiourea?
The IUPAC name of 1-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-methylphenyl)thiourea (CID 118712947) is 1-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-methylphenyl)thiourea.
What is the SMILES notation for 1-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-methylphenyl)thiourea?
The canonical SMILES for 1-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-methylphenyl)thiourea is COc1cnc2ccc(=O)n(CCN3CCC(NC(=S)Nc4ccc(C)cc4)CC3)c2c1.
What is the InChIKey of 1-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-methylphenyl)thiourea?
The InChIKey is KUIGMMIWUABSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2S/c1-17-3-5-18(6-4-17)26-24(32)27-19-9-11-28(12-10-19)13-14-29-22-15-20(31-2)16-25-21(22)7-8-23(29)30/h3-8,15-16,19H,9-14H2,1-2H3,(H2,26,27,32).
What are the key properties of 1-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-methylphenyl)thiourea?
1-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-methylphenyl)thiourea has a molecular weight of 451.60 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 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-methylphenyl)thiourea is sourced from PubChem (CID 118712947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).