2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylcarbamoylamino]piperidin-1-yl]acetic acid

C18H27N5O3 — CID 135312166

IUPAC2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylcarbamoylamino]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(NC(=O)NCCc2ccc3c(n2)NCCC3)CC1
InChIInChI=1S/C18H27N5O3/c24-16(25)12-23-10-6-15(7-11-23)22-18(26)20-9-5-14-4-3-13-2-1-8-19-17(13)21-14/h3-4,15H,1-2,5-12H2,(H,19,21)(H,24,25)(H2,20,22,26)
InChIKeyNSMDCMYLKWDTIX-UHFFFAOYSA-N
MW361.45 g/mol
LogP0.83
Rot. Bonds6

About 2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylcarbamoylamino]piperidin-1-yl]acetic acid

2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylcarbamoylamino]piperidin-1-yl]acetic acid (PubChem CID 135312166) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylcarbamoylamino]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylcarbamoylamino]piperidin-1-yl]acetic acid
PubChem CID135312166
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Name2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylcarbamoylamino]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(NC(=O)NCCc2ccc3c(n2)NCCC3)CC1
InChIInChI=1S/C18H27N5O3/c24-16(25)12-23-10-6-15(7-11-23)22-18(26)20-9-5-14-4-3-13-2-1-8-19-17(13)21-14/h3-4,15H,1-2,5-12H2,(H,19,21)(H,24,25)(H2,20,22,26)
InChIKeyNSMDCMYLKWDTIX-UHFFFAOYSA-N
XLogP0.83
TPSA106.59 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 50.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylcarbamoylamino]piperidin-1-yl]acetic acid with MolForge

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Related Compounds

2-[(3R)-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid
CID 135312433
1-(4-fluorophenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
CID 70887059
1-[2-(4-methoxyphenyl)ethyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
CID 71590344
1-(4-morpholin-4-ylphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
CID 46207633
1-(4-phenoxyphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
CID 70887068
tert-butyl N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]carbamate
CID 54085210
2-[2-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylcarbamoyl]-1,3,4,5-tetrahydro-2-benzazepin-5-yl]acetic acid
CID 23558815
1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-(2,3,4-trifluorophenyl)urea
CID 70887077
2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetic acid
CID 22570252
1-(3,5-dimethoxyphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
CID 71590396
1-(1-amino-3-oxo-1-phenylbut-1-en-2-yl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
CID 173481126
1-(2,4-dimethoxyphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
CID 71590439

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylcarbamoylamino]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylcarbamoylamino]piperidin-1-yl]acetic acid (CID 135312166) is 2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylcarbamoylamino]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylcarbamoylamino]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylcarbamoylamino]piperidin-1-yl]acetic acid is O=C(O)CN1CCC(NC(=O)NCCc2ccc3c(n2)NCCC3)CC1.
What is the InChIKey of 2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylcarbamoylamino]piperidin-1-yl]acetic acid?
The InChIKey is NSMDCMYLKWDTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c24-16(25)12-23-10-6-15(7-11-23)22-18(26)20-9-5-14-4-3-13-2-1-8-19-17(13)21-14/h3-4,15H,1-2,5-12H2,(H,19,21)(H,24,25)(H2,20,22,26).
What are the key properties of 2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylcarbamoylamino]piperidin-1-yl]acetic acid?
2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylcarbamoylamino]piperidin-1-yl]acetic acid has a molecular weight of 361.45 g/mol, XLogP of 0.83, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylcarbamoylamino]piperidin-1-yl]acetic acid is sourced from PubChem (CID 135312166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).