[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-cyclopentylpiperazine-1-carboxylate

C21H31N5O3 — CID 71523156

IUPAC[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-cyclopentylpiperazine-1-carboxylate
SMILESNC(=O)c1ccc(N2CCC(OC(=O)N3CCN(C4CCCC4)CC3)CC2)nc1
InChIInChI=1S/C21H31N5O3/c22-20(27)16-5-6-19(23-15-16)25-9-7-18(8-10-25)29-21(28)26-13-11-24(12-14-26)17-3-1-2-4-17/h5-6,15,17-18H,1-4,7-14H2,(H2,22,27)
InChIKeyITKLGGUUOSZXGH-UHFFFAOYSA-N
MW401.51 g/mol
LogP1.85
Rot. Bonds4

About [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-cyclopentylpiperazine-1-carboxylate

[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-cyclopentylpiperazine-1-carboxylate (PubChem CID 71523156) has the molecular formula C21H31N5O3 and a molecular weight of 401.51 g/mol. Its IUPAC name is [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-cyclopentylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-cyclopentylpiperazine-1-carboxylate
PubChem CID71523156
Molecular FormulaC21H31N5O3
Molecular Weight401.51 g/mol
Exact Mass401.24
IUPAC Name[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-cyclopentylpiperazine-1-carboxylate
SMILESNC(=O)c1ccc(N2CCC(OC(=O)N3CCN(C4CCCC4)CC3)CC2)nc1
InChIInChI=1S/C21H31N5O3/c22-20(27)16-5-6-19(23-15-16)25-9-7-18(8-10-25)29-21(28)26-13-11-24(12-14-26)17-3-1-2-4-17/h5-6,15,17-18H,1-4,7-14H2,(H2,22,27)
InChIKeyITKLGGUUOSZXGH-UHFFFAOYSA-N
XLogP1.85
TPSA92.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-cyclopentylpiperazine-1-carboxylate?
The IUPAC name of [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-cyclopentylpiperazine-1-carboxylate (CID 71523156) is [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-cyclopentylpiperazine-1-carboxylate.
What is the SMILES notation for [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-cyclopentylpiperazine-1-carboxylate?
The canonical SMILES for [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-cyclopentylpiperazine-1-carboxylate is NC(=O)c1ccc(N2CCC(OC(=O)N3CCN(C4CCCC4)CC3)CC2)nc1.
What is the InChIKey of [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-cyclopentylpiperazine-1-carboxylate?
The InChIKey is ITKLGGUUOSZXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O3/c22-20(27)16-5-6-19(23-15-16)25-9-7-18(8-10-25)29-21(28)26-13-11-24(12-14-26)17-3-1-2-4-17/h5-6,15,17-18H,1-4,7-14H2,(H2,22,27).
What are the key properties of [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-cyclopentylpiperazine-1-carboxylate?
[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-cyclopentylpiperazine-1-carboxylate has a molecular weight of 401.51 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-cyclopentylpiperazine-1-carboxylate is sourced from PubChem (CID 71523156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).