(2S)-2-(piperidine-4-carbonylamino)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid

C23H36N4O3 — CID 146483532

IUPAC(2S)-2-(piperidine-4-carbonylamino)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
SMILESO=C(N[C@@H](CCCCCCCc1ccc2c(n1)NCCC2)C(=O)O)C1CCNCC1
InChIInChI=1S/C23H36N4O3/c28-22(18-12-15-24-16-13-18)27-20(23(29)30)9-5-3-1-2-4-8-19-11-10-17-7-6-14-25-21(17)26-19/h10-11,18,20,24H,1-9,12-16H2,(H,25,26)(H,27,28)(H,29,30)/t20-/m0/s1
InChIKeyPWPUVAKXIIRABO-FQEVSTJZSA-N
MW416.57 g/mol
LogP2.89
Rot. Bonds11

About (2S)-2-(piperidine-4-carbonylamino)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid

(2S)-2-(piperidine-4-carbonylamino)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid (PubChem CID 146483532) has the molecular formula C23H36N4O3 and a molecular weight of 416.57 g/mol. Its IUPAC name is (2S)-2-(piperidine-4-carbonylamino)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid.

Molecular Properties

Compound Name(2S)-2-(piperidine-4-carbonylamino)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
PubChem CID146483532
Molecular FormulaC23H36N4O3
Molecular Weight416.57 g/mol
Exact Mass416.28
IUPAC Name(2S)-2-(piperidine-4-carbonylamino)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
SMILESO=C(N[C@@H](CCCCCCCc1ccc2c(n1)NCCC2)C(=O)O)C1CCNCC1
InChIInChI=1S/C23H36N4O3/c28-22(18-12-15-24-16-13-18)27-20(23(29)30)9-5-3-1-2-4-8-19-11-10-17-7-6-14-25-21(17)26-19/h10-11,18,20,24H,1-9,12-16H2,(H,25,26)(H,27,28)(H,29,30)/t20-/m0/s1
InChIKeyPWPUVAKXIIRABO-FQEVSTJZSA-N
XLogP2.89
TPSA103.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 52.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(piperidine-4-carbonylamino)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid?
The IUPAC name of (2S)-2-(piperidine-4-carbonylamino)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid (CID 146483532) is (2S)-2-(piperidine-4-carbonylamino)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid.
What is the SMILES notation for (2S)-2-(piperidine-4-carbonylamino)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid?
The canonical SMILES for (2S)-2-(piperidine-4-carbonylamino)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid is O=C(N[C@@H](CCCCCCCc1ccc2c(n1)NCCC2)C(=O)O)C1CCNCC1.
What is the InChIKey of (2S)-2-(piperidine-4-carbonylamino)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid?
The InChIKey is PWPUVAKXIIRABO-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H36N4O3/c28-22(18-12-15-24-16-13-18)27-20(23(29)30)9-5-3-1-2-4-8-19-11-10-17-7-6-14-25-21(17)26-19/h10-11,18,20,24H,1-9,12-16H2,(H,25,26)(H,27,28)(H,29,30)/t20-/m0/s1.
What are the key properties of (2S)-2-(piperidine-4-carbonylamino)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid?
(2S)-2-(piperidine-4-carbonylamino)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid has a molecular weight of 416.57 g/mol, XLogP of 2.89, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(piperidine-4-carbonylamino)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid is sourced from PubChem (CID 146483532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).