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

C19H29N5O4 — CID 89487569

IUPAC[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-(1-hydroxypropan-2-yl)piperazine-1-carboxylate
SMILESCC(CO)N1CCN(C(=O)OC2CCN(c3ccc(C(N)=O)cn3)CC2)CC1
InChIInChI=1S/C19H29N5O4/c1-14(13-25)22-8-10-24(11-9-22)19(27)28-16-4-6-23(7-5-16)17-3-2-15(12-21-17)18(20)26/h2-3,12,14,16,25H,4-11,13H2,1H3,(H2,20,26)
InChIKeyCZIOFHAIFBVQOU-UHFFFAOYSA-N
MW391.47 g/mol
LogP0.28
Rot. Bonds5

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

[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-(1-hydroxypropan-2-yl)piperazine-1-carboxylate (PubChem CID 89487569) has the molecular formula C19H29N5O4 and a molecular weight of 391.47 g/mol. Its IUPAC name is [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-(1-hydroxypropan-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Name[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-(1-hydroxypropan-2-yl)piperazine-1-carboxylate
PubChem CID89487569
Molecular FormulaC19H29N5O4
Molecular Weight391.47 g/mol
Exact Mass391.22
IUPAC Name[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-(1-hydroxypropan-2-yl)piperazine-1-carboxylate
SMILESCC(CO)N1CCN(C(=O)OC2CCN(c3ccc(C(N)=O)cn3)CC2)CC1
InChIInChI=1S/C19H29N5O4/c1-14(13-25)22-8-10-24(11-9-22)19(27)28-16-4-6-23(7-5-16)17-3-2-15(12-21-17)18(20)26/h2-3,12,14,16,25H,4-11,13H2,1H3,(H2,20,26)
InChIKeyCZIOFHAIFBVQOU-UHFFFAOYSA-N
XLogP0.28
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 50.28
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-(1-hydroxypropan-2-yl)piperazine-1-carboxylate?
The IUPAC name of [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-(1-hydroxypropan-2-yl)piperazine-1-carboxylate (CID 89487569) is [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-(1-hydroxypropan-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-(1-hydroxypropan-2-yl)piperazine-1-carboxylate?
The canonical SMILES for [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-(1-hydroxypropan-2-yl)piperazine-1-carboxylate is CC(CO)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-hydroxypropan-2-yl)piperazine-1-carboxylate?
The InChIKey is CZIOFHAIFBVQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O4/c1-14(13-25)22-8-10-24(11-9-22)19(27)28-16-4-6-23(7-5-16)17-3-2-15(12-21-17)18(20)26/h2-3,12,14,16,25H,4-11,13H2,1H3,(H2,20,26).
What are the key properties of [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-(1-hydroxypropan-2-yl)piperazine-1-carboxylate?
[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-(1-hydroxypropan-2-yl)piperazine-1-carboxylate has a molecular weight of 391.47 g/mol, XLogP of 0.28, 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-(1-hydroxypropan-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 89487569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).