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

C19H27N5O3 — CID 71523157

IUPAC[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-cyclopropylpiperazine-1-carboxylate
SMILESNC(=O)c1ccc(N2CCC(OC(=O)N3CCN(C4CC4)CC3)CC2)nc1
InChIInChI=1S/C19H27N5O3/c20-18(25)14-1-4-17(21-13-14)23-7-5-16(6-8-23)27-19(26)24-11-9-22(10-12-24)15-2-3-15/h1,4,13,15-16H,2-3,5-12H2,(H2,20,25)
InChIKeyLUUPSXSATRSQKG-UHFFFAOYSA-N
MW373.46 g/mol
LogP1.07
Rot. Bonds4

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

[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-cyclopropylpiperazine-1-carboxylate (PubChem CID 71523157) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-cyclopropylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-cyclopropylpiperazine-1-carboxylate
PubChem CID71523157
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-cyclopropylpiperazine-1-carboxylate
SMILESNC(=O)c1ccc(N2CCC(OC(=O)N3CCN(C4CC4)CC3)CC2)nc1
InChIInChI=1S/C19H27N5O3/c20-18(25)14-1-4-17(21-13-14)23-7-5-16(6-8-23)27-19(26)24-11-9-22(10-12-24)15-2-3-15/h1,4,13,15-16H,2-3,5-12H2,(H2,20,25)
InChIKeyLUUPSXSATRSQKG-UHFFFAOYSA-N
XLogP1.07
TPSA92.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 51.07
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-cyclopropylpiperazine-1-carboxylate?
The IUPAC name of [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-cyclopropylpiperazine-1-carboxylate (CID 71523157) is [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-cyclopropylpiperazine-1-carboxylate.
What is the SMILES notation for [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-cyclopropylpiperazine-1-carboxylate?
The canonical SMILES for [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-cyclopropylpiperazine-1-carboxylate is NC(=O)c1ccc(N2CCC(OC(=O)N3CCN(C4CC4)CC3)CC2)nc1.
What is the InChIKey of [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-cyclopropylpiperazine-1-carboxylate?
The InChIKey is LUUPSXSATRSQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c20-18(25)14-1-4-17(21-13-14)23-7-5-16(6-8-23)27-19(26)24-11-9-22(10-12-24)15-2-3-15/h1,4,13,15-16H,2-3,5-12H2,(H2,20,25).
What are the key properties of [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-cyclopropylpiperazine-1-carboxylate?
[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-cyclopropylpiperazine-1-carboxylate has a molecular weight of 373.46 g/mol, XLogP of 1.07, 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-cyclopropylpiperazine-1-carboxylate is sourced from PubChem (CID 71523157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).