[1-(6-methoxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate

C20H30N4O4 — CID 89487801

IUPAC[1-(6-methoxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCOC(=O)c1cccc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)n1
InChIInChI=1S/C20H30N4O4/c1-15(2)22-11-13-24(14-12-22)20(26)28-16-7-9-23(10-8-16)18-6-4-5-17(21-18)19(25)27-3/h4-6,15-16H,7-14H2,1-3H3
InChIKeyLCHADDIORJEAIF-UHFFFAOYSA-N
MW390.48 g/mol
LogP2.00
Rot. Bonds4

About [1-(6-methoxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate

[1-(6-methoxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (PubChem CID 89487801) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is [1-(6-methoxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[1-(6-methoxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
PubChem CID89487801
Molecular FormulaC20H30N4O4
Molecular Weight390.48 g/mol
Exact Mass390.23
IUPAC Name[1-(6-methoxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCOC(=O)c1cccc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)n1
InChIInChI=1S/C20H30N4O4/c1-15(2)22-11-13-24(14-12-22)20(26)28-16-7-9-23(10-8-16)18-6-4-5-17(21-18)19(25)27-3/h4-6,15-16H,7-14H2,1-3H3
InChIKeyLCHADDIORJEAIF-UHFFFAOYSA-N
XLogP2.00
TPSA75.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[1-(6-Methoxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
CID 89487516
[1-[6-(Methoxymethyl)-2-pyridinyl]piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
CID 89487855
[1-[6-(Methoxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487883
[1-[6-(Hydroxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487917
6-(Morpholin-4-yl)pyridine-2-carboxylic acid
CID 2388921
Propan-2-YL 6-[(6-{6-[(propan-2-yloxy)carbonyl]pyridine-2-amido}pyridin-2-YL)carbamoyl]pyridine-2-carboxylate
CID 4684432
6-(4-Methylpiperazin-1-yl)pyridine-2-carboxylicacidhydrochloride
CID 57444906
Tert-butyl 4-(6-(ethoxycarbonyl)pyridin-2-yl)piperazine-1-carboxylate
CID 66545194
Ethyl 6-({6-[6-(ethoxycarbonyl)pyridine-2-amido]pyridin-2-YL}carbamoyl)pyridine-2-carboxylate
CID 5023417
Ethyl 6-(8-cyclopropyl-9-oxo-2,8-diazaspiro[5.5]undec-2-yl)-2-pyridinecarboxylate
CID 70736810
methyl 6-[[(2S)-2-[[(2R)-2-[[(2S)-2-(tetradecanoylamino)propanoyl]amino]propanoyl]amino]propanoyl]amino]pyridine-2-carboxylate
CID 137634242
2-(2-ethoxyethoxy)ethyl 6-[[(2S)-2-[[(2R)-2-[[(2S)-2-(tetradecanoylamino)propanoyl]amino]propanoyl]amino]propanoyl]amino]pyridine-2-carboxylate
CID 137644219

Frequently Asked Questions

What is the IUPAC name of [1-(6-methoxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The IUPAC name of [1-(6-methoxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (CID 89487801) is [1-(6-methoxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for [1-(6-methoxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The canonical SMILES for [1-(6-methoxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is COC(=O)c1cccc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)n1.
What is the InChIKey of [1-(6-methoxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The InChIKey is LCHADDIORJEAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O4/c1-15(2)22-11-13-24(14-12-22)20(26)28-16-7-9-23(10-8-16)18-6-4-5-17(21-18)19(25)27-3/h4-6,15-16H,7-14H2,1-3H3.
What are the key properties of [1-(6-methoxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
[1-(6-methoxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate has a molecular weight of 390.48 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-methoxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 89487801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).