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

C19H30N4O2 — CID 89487728

IUPAC[1-(5-methyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCc1ccc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)nc1
InChIInChI=1S/C19H30N4O2/c1-15(2)21-10-12-23(13-11-21)19(24)25-17-6-8-22(9-7-17)18-5-4-16(3)14-20-18/h4-5,14-15,17H,6-13H2,1-3H3
InChIKeyHIFAZYACSZANNI-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.52
Rot. Bonds3

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

[1-(5-methyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (PubChem CID 89487728) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is [1-(5-methyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[1-(5-methyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
PubChem CID89487728
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name[1-(5-methyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCc1ccc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)nc1
InChIInChI=1S/C19H30N4O2/c1-15(2)21-10-12-23(13-11-21)19(24)25-17-6-8-22(9-7-17)18-5-4-16(3)14-20-18/h4-5,14-15,17H,6-13H2,1-3H3
InChIKeyHIFAZYACSZANNI-UHFFFAOYSA-N
XLogP2.52
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(5-methyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate with MolForge

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Related Compounds

Ethyl 4-[(4-methylpyridin-2-yl)amino]piperidine-1-carboxylate
CID 11149707
Ethyl 4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate
CID 2928555
1-(5-Carbamoylpyridin-2-yl)piperidin-4-yl 4-isopropylpiperazine-1-carboxylate
CID 71533679
(E)-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one O-isopropyloxime
CID 11175610
1-pyridin-3-yl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one O-methyloxime
CID 11370781
Tert-butyl 4-(1-(pyridin-2-yl)piperidin-4-yl)piperidine-1-carboxylate
CID 54587812
[1-[6-(Trifluoromethyl)pyridin-2-yl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 71522477
(1-Pyridin-2-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate
CID 89487613
[1-[5-(2-Oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
CID 89487796
[1-(5-Fluoro-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
CID 89487906
N-methyl-N-(4-methylphenyl)-4-(pyridin-2-yl)piperazine-1-carboxamide
CID 976952
Methyl 2-pyridin-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 3234757

Frequently Asked Questions

What is the IUPAC name of [1-(5-methyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The IUPAC name of [1-(5-methyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (CID 89487728) is [1-(5-methyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for [1-(5-methyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The canonical SMILES for [1-(5-methyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is Cc1ccc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)nc1.
What is the InChIKey of [1-(5-methyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The InChIKey is HIFAZYACSZANNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-15(2)21-10-12-23(13-11-21)19(24)25-17-6-8-22(9-7-17)18-5-4-16(3)14-20-18/h4-5,14-15,17H,6-13H2,1-3H3.
What are the key properties of [1-(5-methyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
[1-(5-methyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate has a molecular weight of 346.48 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-methyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 89487728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).