[1-[5-(methylcarbamoyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate

C20H31N5O3 — CID 89487999

IUPAC[1-[5-(methylcarbamoyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCNC(=O)c1ccc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)nc1
InChIInChI=1S/C20H31N5O3/c1-15(2)23-10-12-25(13-11-23)20(27)28-17-6-8-24(9-7-17)18-5-4-16(14-22-18)19(26)21-3/h4-5,14-15,17H,6-13H2,1-3H3,(H,21,26)
InChIKeyGVPMESFZKNAJPG-UHFFFAOYSA-N
MW389.50 g/mol
LogP1.57
Rot. Bonds4

About [1-[5-(methylcarbamoyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate

[1-[5-(methylcarbamoyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (PubChem CID 89487999) has the molecular formula C20H31N5O3 and a molecular weight of 389.50 g/mol. Its IUPAC name is [1-[5-(methylcarbamoyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[1-[5-(methylcarbamoyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
PubChem CID89487999
Molecular FormulaC20H31N5O3
Molecular Weight389.50 g/mol
Exact Mass389.24
IUPAC Name[1-[5-(methylcarbamoyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCNC(=O)c1ccc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)nc1
InChIInChI=1S/C20H31N5O3/c1-15(2)23-10-12-25(13-11-23)20(27)28-17-6-8-24(9-7-17)18-5-4-16(14-22-18)19(26)21-3/h4-5,14-15,17H,6-13H2,1-3H3,(H,21,26)
InChIKeyGVPMESFZKNAJPG-UHFFFAOYSA-N
XLogP1.57
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-[5-(methylcarbamoyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate 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-[5-(methylcarbamoyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The IUPAC name of [1-[5-(methylcarbamoyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (CID 89487999) is [1-[5-(methylcarbamoyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for [1-[5-(methylcarbamoyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The canonical SMILES for [1-[5-(methylcarbamoyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is CNC(=O)c1ccc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)nc1.
What is the InChIKey of [1-[5-(methylcarbamoyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The InChIKey is GVPMESFZKNAJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O3/c1-15(2)23-10-12-25(13-11-23)20(27)28-17-6-8-24(9-7-17)18-5-4-16(14-22-18)19(26)21-3/h4-5,14-15,17H,6-13H2,1-3H3,(H,21,26).
What are the key properties of [1-[5-(methylcarbamoyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
[1-[5-(methylcarbamoyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate has a molecular weight of 389.50 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(methylcarbamoyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 89487999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).