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

C20H31N5O4 — CID 89487682

IUPAC[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-(1-methoxypropan-2-yl)piperazine-1-carboxylate
SMILESCOCC(C)N1CCN(C(=O)OC2CCN(c3ccc(C(N)=O)cn3)CC2)CC1
InChIInChI=1S/C20H31N5O4/c1-15(14-28-2)23-9-11-25(12-10-23)20(27)29-17-5-7-24(8-6-17)18-4-3-16(13-22-18)19(21)26/h3-4,13,15,17H,5-12,14H2,1-2H3,(H2,21,26)
InChIKeyAFRYPGHDTPQVRQ-UHFFFAOYSA-N
MW405.50 g/mol
LogP0.94
Rot. Bonds6

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

[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-(1-methoxypropan-2-yl)piperazine-1-carboxylate (PubChem CID 89487682) has the molecular formula C20H31N5O4 and a molecular weight of 405.50 g/mol. Its IUPAC name is [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-(1-methoxypropan-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Name[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-(1-methoxypropan-2-yl)piperazine-1-carboxylate
PubChem CID89487682
Molecular FormulaC20H31N5O4
Molecular Weight405.50 g/mol
Exact Mass405.24
IUPAC Name[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-(1-methoxypropan-2-yl)piperazine-1-carboxylate
SMILESCOCC(C)N1CCN(C(=O)OC2CCN(c3ccc(C(N)=O)cn3)CC2)CC1
InChIInChI=1S/C20H31N5O4/c1-15(14-28-2)23-9-11-25(12-10-23)20(27)29-17-5-7-24(8-6-17)18-4-3-16(13-22-18)19(21)26/h3-4,13,15,17H,5-12,14H2,1-2H3,(H2,21,26)
InChIKeyAFRYPGHDTPQVRQ-UHFFFAOYSA-N
XLogP0.94
TPSA101.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 50.94
H-Bond Donors ≤ 51
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-(1-methoxypropan-2-yl)piperazine-1-carboxylate?
The IUPAC name of [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-(1-methoxypropan-2-yl)piperazine-1-carboxylate (CID 89487682) is [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-(1-methoxypropan-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-(1-methoxypropan-2-yl)piperazine-1-carboxylate?
The canonical SMILES for [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-(1-methoxypropan-2-yl)piperazine-1-carboxylate is COCC(C)N1CCN(C(=O)OC2CCN(c3ccc(C(N)=O)cn3)CC2)CC1.
What is the InChIKey of [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-(1-methoxypropan-2-yl)piperazine-1-carboxylate?
The InChIKey is AFRYPGHDTPQVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O4/c1-15(14-28-2)23-9-11-25(12-10-23)20(27)29-17-5-7-24(8-6-17)18-4-3-16(13-22-18)19(21)26/h3-4,13,15,17H,5-12,14H2,1-2H3,(H2,21,26).
What are the key properties of [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-(1-methoxypropan-2-yl)piperazine-1-carboxylate?
[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-(1-methoxypropan-2-yl)piperazine-1-carboxylate has a molecular weight of 405.50 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 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-(1-methoxypropan-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 89487682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).