[1-(6-carbamoyl-3-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate

C20H29N5O3 — CID 89487659

IUPAC[1-(6-carbamoyl-3-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
SMILESNC(=O)c1ccc(N2CCC(OC(=O)N3CCN(C4CCC4)CC3)CC2)cn1
InChIInChI=1S/C20H29N5O3/c21-19(26)18-5-4-16(14-22-18)23-8-6-17(7-9-23)28-20(27)25-12-10-24(11-13-25)15-2-1-3-15/h4-5,14-15,17H,1-3,6-13H2,(H2,21,26)
InChIKeyBDDKTSMWABGWSY-UHFFFAOYSA-N
MW387.48 g/mol
LogP1.46
Rot. Bonds4

About [1-(6-carbamoyl-3-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate

[1-(6-carbamoyl-3-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate (PubChem CID 89487659) has the molecular formula C20H29N5O3 and a molecular weight of 387.48 g/mol. Its IUPAC name is [1-(6-carbamoyl-3-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[1-(6-carbamoyl-3-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
PubChem CID89487659
Molecular FormulaC20H29N5O3
Molecular Weight387.48 g/mol
Exact Mass387.23
IUPAC Name[1-(6-carbamoyl-3-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
SMILESNC(=O)c1ccc(N2CCC(OC(=O)N3CCN(C4CCC4)CC3)CC2)cn1
InChIInChI=1S/C20H29N5O3/c21-19(26)18-5-4-16(14-22-18)23-8-6-17(7-9-23)28-20(27)25-12-10-24(11-13-25)15-2-1-3-15/h4-5,14-15,17H,1-3,6-13H2,(H2,21,26)
InChIKeyBDDKTSMWABGWSY-UHFFFAOYSA-N
XLogP1.46
TPSA92.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-(6-carbamoyl-3-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-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

Related Compounds

Piperazine carbamate/urea derivative 3
CID 89487899
Piperazine-1,4-diylbis(pyridin-2-ylmethanone)
CID 258989
N-[4-(4-phenylpiperazin-1-yl)butyl]pyridine-2-carboxamide
CID 11537385
5-[[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperidin-4-yl]amino]-N-methylpyridine-2-carboxamide
CID 168177331
[1-(6-Methoxycarbonyl-3-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
CID 89487874
N-[2-(4-phenylpiperazin-1-yl)ethyl]pyridine-2-carboxamide
CID 45560008
[1-(6-Carbamoyl-3-pyridinyl)pyrrolidin-3-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487601
US11591331, Example 68
CID 167845006
[3-(4-Phenylpiperazin-1-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 24819464
1-(4-Fluorophenyl)-4-[1-(2-pyridinylcarbonyl)-3-piperidinyl]piperazine
CID 24790572
US11591331, Example 2
CID 167844961
US11591331, Example 11
CID 167844970

Frequently Asked Questions

What is the IUPAC name of [1-(6-carbamoyl-3-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate?
The IUPAC name of [1-(6-carbamoyl-3-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate (CID 89487659) is [1-(6-carbamoyl-3-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate.
What is the SMILES notation for [1-(6-carbamoyl-3-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate?
The canonical SMILES for [1-(6-carbamoyl-3-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate is NC(=O)c1ccc(N2CCC(OC(=O)N3CCN(C4CCC4)CC3)CC2)cn1.
What is the InChIKey of [1-(6-carbamoyl-3-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate?
The InChIKey is BDDKTSMWABGWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3/c21-19(26)18-5-4-16(14-22-18)23-8-6-17(7-9-23)28-20(27)25-12-10-24(11-13-25)15-2-1-3-15/h4-5,14-15,17H,1-3,6-13H2,(H2,21,26).
What are the key properties of [1-(6-carbamoyl-3-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate?
[1-(6-carbamoyl-3-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate has a molecular weight of 387.48 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-carbamoyl-3-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate is sourced from PubChem (CID 89487659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).