1-[2-(1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-4-yl]piperidine-4-carboxylic acid

C16H21N3O2 — CID 142064822

IUPAC1-[2-(1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-4-yl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C2=CC(C3C=CC=CN3)NC=C2)CC1
InChIInChI=1S/C16H21N3O2/c20-16(21)12-5-9-19(10-6-12)13-4-8-18-15(11-13)14-3-1-2-7-17-14/h1-4,7-8,11-12,14-15,17-18H,5-6,9-10H2,(H,20,21)
InChIKeySINGJVNJBZMBHK-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.19
Rot. Bonds3

About 1-[2-(1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-4-yl]piperidine-4-carboxylic acid

1-[2-(1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-4-yl]piperidine-4-carboxylic acid (PubChem CID 142064822) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[2-(1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-4-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-4-yl]piperidine-4-carboxylic acid
PubChem CID142064822
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-[2-(1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-4-yl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C2=CC(C3C=CC=CN3)NC=C2)CC1
InChIInChI=1S/C16H21N3O2/c20-16(21)12-5-9-19(10-6-12)13-4-8-18-15(11-13)14-3-1-2-7-17-14/h1-4,7-8,11-12,14-15,17-18H,5-6,9-10H2,(H,20,21)
InChIKeySINGJVNJBZMBHK-UHFFFAOYSA-N
XLogP1.19
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-(1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-4-yl]piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-4-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-4-yl]piperidine-4-carboxylic acid (CID 142064822) is 1-[2-(1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-4-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-4-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-4-yl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C2=CC(C3C=CC=CN3)NC=C2)CC1.
What is the InChIKey of 1-[2-(1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-4-yl]piperidine-4-carboxylic acid?
The InChIKey is SINGJVNJBZMBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-16(21)12-5-9-19(10-6-12)13-4-8-18-15(11-13)14-3-1-2-7-17-14/h1-4,7-8,11-12,14-15,17-18H,5-6,9-10H2,(H,20,21).
What are the key properties of 1-[2-(1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-4-yl]piperidine-4-carboxylic acid?
1-[2-(1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-4-yl]piperidine-4-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-4-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 142064822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).