(3S)-1-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid

C18H23N3O2 — CID 97145160

IUPAC(3S)-1-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid
SMILESC=CC[C@@]1(C(=O)O)CCCN(Cc2nc(C)n3ccccc23)C1
InChIInChI=1S/C18H23N3O2/c1-3-8-18(17(22)23)9-6-10-20(13-18)12-15-16-7-4-5-11-21(16)14(2)19-15/h3-5,7,11H,1,6,8-10,12-13H2,2H3,(H,22,23)/t18-/m1/s1
InChIKeyPASSCAFDPTUFNZ-GOSISDBHSA-N
MW313.40 g/mol
LogP2.89
Rot. Bonds5

About (3S)-1-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid

(3S)-1-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid (PubChem CID 97145160) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (3S)-1-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid
PubChem CID97145160
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(3S)-1-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid
SMILESC=CC[C@@]1(C(=O)O)CCCN(Cc2nc(C)n3ccccc23)C1
InChIInChI=1S/C18H23N3O2/c1-3-8-18(17(22)23)9-6-10-20(13-18)12-15-16-7-4-5-11-21(16)14(2)19-15/h3-5,7,11H,1,6,8-10,12-13H2,2H3,(H,22,23)/t18-/m1/s1
InChIKeyPASSCAFDPTUFNZ-GOSISDBHSA-N
XLogP2.89
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid (CID 97145160) is (3S)-1-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid is C=CC[C@@]1(C(=O)O)CCCN(Cc2nc(C)n3ccccc23)C1.
What is the InChIKey of (3S)-1-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid?
The InChIKey is PASSCAFDPTUFNZ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-8-18(17(22)23)9-6-10-20(13-18)12-15-16-7-4-5-11-21(16)14(2)19-15/h3-5,7,11H,1,6,8-10,12-13H2,2H3,(H,22,23)/t18-/m1/s1.
What are the key properties of (3S)-1-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid?
(3S)-1-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid has a molecular weight of 313.40 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid is sourced from PubChem (CID 97145160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).