[1-(6-carbamoyl-3-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate

C19H29N5O3 — CID 89487899

IUPAC[1-(6-carbamoyl-3-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)N1CCN(C(=O)OC2CCN(c3ccc(C(N)=O)nc3)CC2)CC1
InChIInChI=1S/C19H29N5O3/c1-14(2)22-9-11-24(12-10-22)19(26)27-16-5-7-23(8-6-16)15-3-4-17(18(20)25)21-13-15/h3-4,13-14,16H,5-12H2,1-2H3,(H2,20,25)
InChIKeyNJPLXPIWGPHUGQ-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.31
Rot. Bonds4

About [1-(6-carbamoyl-3-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate

[1-(6-carbamoyl-3-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (PubChem CID 89487899) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is [1-(6-carbamoyl-3-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[1-(6-carbamoyl-3-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
PubChem CID89487899
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name[1-(6-carbamoyl-3-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)N1CCN(C(=O)OC2CCN(c3ccc(C(N)=O)nc3)CC2)CC1
InChIInChI=1S/C19H29N5O3/c1-14(2)22-9-11-24(12-10-22)19(26)27-16-5-7-23(8-6-16)15-3-4-17(18(20)25)21-13-15/h3-4,13-14,16H,5-12H2,1-2H3,(H2,20,25)
InChIKeyNJPLXPIWGPHUGQ-UHFFFAOYSA-N
XLogP1.31
TPSA92.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(6-carbamoyl-3-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The IUPAC name of [1-(6-carbamoyl-3-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (CID 89487899) is [1-(6-carbamoyl-3-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for [1-(6-carbamoyl-3-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The canonical SMILES for [1-(6-carbamoyl-3-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is CC(C)N1CCN(C(=O)OC2CCN(c3ccc(C(N)=O)nc3)CC2)CC1.
What is the InChIKey of [1-(6-carbamoyl-3-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The InChIKey is NJPLXPIWGPHUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-14(2)22-9-11-24(12-10-22)19(26)27-16-5-7-23(8-6-16)15-3-4-17(18(20)25)21-13-15/h3-4,13-14,16H,5-12H2,1-2H3,(H2,20,25).
What are the key properties of [1-(6-carbamoyl-3-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
[1-(6-carbamoyl-3-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate has a molecular weight of 375.47 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-carbamoyl-3-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 89487899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).