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

C19H30N4O3 — CID 89487854

IUPAC[1-(6-methoxy-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCOc1cccc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)n1
InChIInChI=1S/C19H30N4O3/c1-15(2)21-11-13-23(14-12-21)19(24)26-16-7-9-22(10-8-16)17-5-4-6-18(20-17)25-3/h4-6,15-16H,7-14H2,1-3H3
InChIKeyTUUADAUMPLPXFK-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.22
Rot. Bonds4

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

[1-(6-methoxy-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (PubChem CID 89487854) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is [1-(6-methoxy-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[1-(6-methoxy-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
PubChem CID89487854
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name[1-(6-methoxy-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCOc1cccc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)n1
InChIInChI=1S/C19H30N4O3/c1-15(2)21-11-13-23(14-12-21)19(24)26-16-7-9-22(10-8-16)17-5-4-6-18(20-17)25-3/h4-6,15-16H,7-14H2,1-3H3
InChIKeyTUUADAUMPLPXFK-UHFFFAOYSA-N
XLogP2.22
TPSA58.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(6-methoxy-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The IUPAC name of [1-(6-methoxy-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (CID 89487854) is [1-(6-methoxy-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for [1-(6-methoxy-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The canonical SMILES for [1-(6-methoxy-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is COc1cccc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)n1.
What is the InChIKey of [1-(6-methoxy-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The InChIKey is TUUADAUMPLPXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-15(2)21-11-13-23(14-12-21)19(24)26-16-7-9-22(10-8-16)17-5-4-6-18(20-17)25-3/h4-6,15-16H,7-14H2,1-3H3.
What are the key properties of [1-(6-methoxy-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
[1-(6-methoxy-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate has a molecular weight of 362.47 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-methoxy-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 89487854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).