(3R)-1-[3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propyl]piperidine-3-carboxylic acid

C22H33N3O4 — CID 165121279

IUPAC(3R)-1-[3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propyl]piperidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCCc2ccc(CCCN3CCC[C@@H](C(=O)O)C3)nc21
InChIInChI=1S/C22H33N3O4/c1-22(2,3)29-21(28)25-14-5-7-16-10-11-18(23-19(16)25)9-6-13-24-12-4-8-17(15-24)20(26)27/h10-11,17H,4-9,12-15H2,1-3H3,(H,26,27)/t17-/m1/s1
InChIKeyHYDVGXYUJYDTAK-QGZVFWFLSA-N
MW403.52 g/mol
LogP3.50
Rot. Bonds5

About (3R)-1-[3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propyl]piperidine-3-carboxylic acid

(3R)-1-[3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propyl]piperidine-3-carboxylic acid (PubChem CID 165121279) has the molecular formula C22H33N3O4 and a molecular weight of 403.52 g/mol. Its IUPAC name is (3R)-1-[3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propyl]piperidine-3-carboxylic acid
PubChem CID165121279
Molecular FormulaC22H33N3O4
Molecular Weight403.52 g/mol
Exact Mass403.25
IUPAC Name(3R)-1-[3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propyl]piperidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCCc2ccc(CCCN3CCC[C@@H](C(=O)O)C3)nc21
InChIInChI=1S/C22H33N3O4/c1-22(2,3)29-21(28)25-14-5-7-16-10-11-18(23-19(16)25)9-6-13-24-12-4-8-17(15-24)20(26)27/h10-11,17H,4-9,12-15H2,1-3H3,(H,26,27)/t17-/m1/s1
InChIKeyHYDVGXYUJYDTAK-QGZVFWFLSA-N
XLogP3.50
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-1-[3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propyl]piperidine-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 7-[3-[(3R)-3-[[(2S)-3-methoxy-2-(naphthalen-1-ylamino)-3-oxopropyl]carbamoyl]piperidin-1-yl]propyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 165121805
5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoate
CID 169021469
lithium 5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoate
CID 168874390
tert-butyl 7-hex-5-enyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 134394630
tert-butyl 7-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 53397403
tert-butyl 7-(4-prop-2-enoxybutyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 146551735
tert-butyl 7-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 134500824
tert-butyl 7-[6-[tert-butyl(diphenyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]hexyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 142754710
2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]acetate
CID 22319471
tert-butyl 7-[3-[3-[(2S)-3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)propoxy]azetidin-1-yl]propyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 134514767
7-[5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pentyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylic acid
CID 175201524
tert-butyl 7-[4-[[2-(dimethylamino)-2-hydroxyethyl]amino]butyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 175209042

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propyl]piperidine-3-carboxylic acid (CID 165121279) is (3R)-1-[3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propyl]piperidine-3-carboxylic acid is CC(C)(C)OC(=O)N1CCCc2ccc(CCCN3CCC[C@@H](C(=O)O)C3)nc21.
What is the InChIKey of (3R)-1-[3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propyl]piperidine-3-carboxylic acid?
The InChIKey is HYDVGXYUJYDTAK-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H33N3O4/c1-22(2,3)29-21(28)25-14-5-7-16-10-11-18(23-19(16)25)9-6-13-24-12-4-8-17(15-24)20(26)27/h10-11,17H,4-9,12-15H2,1-3H3,(H,26,27)/t17-/m1/s1.
What are the key properties of (3R)-1-[3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propyl]piperidine-3-carboxylic acid?
(3R)-1-[3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propyl]piperidine-3-carboxylic acid has a molecular weight of 403.52 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 165121279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).