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

C18H27N5O4 — CID 89487643

IUPAC[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-(2-hydroxyethyl)piperazine-1-carboxylate
SMILESNC(=O)c1ccc(N2CCC(OC(=O)N3CCN(CCO)CC3)CC2)nc1
InChIInChI=1S/C18H27N5O4/c19-17(25)14-1-2-16(20-13-14)22-5-3-15(4-6-22)27-18(26)23-9-7-21(8-10-23)11-12-24/h1-2,13,15,24H,3-12H2,(H2,19,25)
InChIKeyWRUPQJMMBSSNBK-UHFFFAOYSA-N
MW377.45 g/mol
LogP-0.10
Rot. Bonds5

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

[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-(2-hydroxyethyl)piperazine-1-carboxylate (PubChem CID 89487643) has the molecular formula C18H27N5O4 and a molecular weight of 377.45 g/mol. Its IUPAC name is [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-(2-hydroxyethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Name[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-(2-hydroxyethyl)piperazine-1-carboxylate
PubChem CID89487643
Molecular FormulaC18H27N5O4
Molecular Weight377.45 g/mol
Exact Mass377.21
IUPAC Name[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-(2-hydroxyethyl)piperazine-1-carboxylate
SMILESNC(=O)c1ccc(N2CCC(OC(=O)N3CCN(CCO)CC3)CC2)nc1
InChIInChI=1S/C18H27N5O4/c19-17(25)14-1-2-16(20-13-14)22-5-3-15(4-6-22)27-18(26)23-9-7-21(8-10-23)11-12-24/h1-2,13,15,24H,3-12H2,(H2,19,25)
InChIKeyWRUPQJMMBSSNBK-UHFFFAOYSA-N
XLogP-0.10
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-(2-hydroxyethyl)piperazine-1-carboxylate?
The IUPAC name of [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-(2-hydroxyethyl)piperazine-1-carboxylate (CID 89487643) is [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-(2-hydroxyethyl)piperazine-1-carboxylate.
What is the SMILES notation for [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-(2-hydroxyethyl)piperazine-1-carboxylate?
The canonical SMILES for [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-(2-hydroxyethyl)piperazine-1-carboxylate is NC(=O)c1ccc(N2CCC(OC(=O)N3CCN(CCO)CC3)CC2)nc1.
What is the InChIKey of [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-(2-hydroxyethyl)piperazine-1-carboxylate?
The InChIKey is WRUPQJMMBSSNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O4/c19-17(25)14-1-2-16(20-13-14)22-5-3-15(4-6-22)27-18(26)23-9-7-21(8-10-23)11-12-24/h1-2,13,15,24H,3-12H2,(H2,19,25).
What are the key properties of [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-(2-hydroxyethyl)piperazine-1-carboxylate?
[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-(2-hydroxyethyl)piperazine-1-carboxylate has a molecular weight of 377.45 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-(2-hydroxyethyl)piperazine-1-carboxylate is sourced from PubChem (CID 89487643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).