[1-(5-methoxy-2-pyridinyl)piperidin-4-yl] 4-cyclopropylpiperazine-1-carboxylate

C19H28N4O3 — CID 89488501

IUPAC[1-(5-methoxy-2-pyridinyl)piperidin-4-yl] 4-cyclopropylpiperazine-1-carboxylate
SMILESCOc1ccc(N2CCC(OC(=O)N3CCN(C4CC4)CC3)CC2)nc1
InChIInChI=1S/C19H28N4O3/c1-25-17-4-5-18(20-14-17)22-8-6-16(7-9-22)26-19(24)23-12-10-21(11-13-23)15-2-3-15/h4-5,14-16H,2-3,6-13H2,1H3
InChIKeyKCDQDBZCBXAPAT-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.98
Rot. Bonds4

About [1-(5-methoxy-2-pyridinyl)piperidin-4-yl] 4-cyclopropylpiperazine-1-carboxylate

[1-(5-methoxy-2-pyridinyl)piperidin-4-yl] 4-cyclopropylpiperazine-1-carboxylate (PubChem CID 89488501) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is [1-(5-methoxy-2-pyridinyl)piperidin-4-yl] 4-cyclopropylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[1-(5-methoxy-2-pyridinyl)piperidin-4-yl] 4-cyclopropylpiperazine-1-carboxylate
PubChem CID89488501
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name[1-(5-methoxy-2-pyridinyl)piperidin-4-yl] 4-cyclopropylpiperazine-1-carboxylate
SMILESCOc1ccc(N2CCC(OC(=O)N3CCN(C4CC4)CC3)CC2)nc1
InChIInChI=1S/C19H28N4O3/c1-25-17-4-5-18(20-14-17)22-8-6-16(7-9-22)26-19(24)23-12-10-21(11-13-23)15-2-3-15/h4-5,14-16H,2-3,6-13H2,1H3
InChIKeyKCDQDBZCBXAPAT-UHFFFAOYSA-N
XLogP1.98
TPSA58.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 762653
Tert-butyl 4-{5-[(3-methoxypyridin-4-yl)methoxy]pyrimidin-2-yl}piperazine-1-carboxylate
CID 51029782
[1-(6-Methoxy-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487854
[1-(5-Methoxy-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89488552
[1-(5-Methoxy-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
CID 89494554
Oxazolo(4,5-b)pyridin-2(3H)-one, 3-(3-(4-phenyl-1-piperazinyl)propyl)-
CID 126108
Oxazolo(4,5-b)pyridin-2(3H)-one, 3-((4-(2-methoxyphenyl)-1-piperazinyl)methyl)-
CID 382816
S 12813
CID 3035655
Oxazolo(4,5-b)pyridin-2(3H)-one, 3-(2-(1-piperidinyl)ethyl)-
CID 3072032
Oxazolo(4,5-b)pyridin-2(3H)-one, 3-(2-(4-methyl-1-piperazinyl)ethyl)-
CID 3072033
Oxazolo(4,5-b)pyridin-2(3H)-one, 3-(2-(4-morpholinyl)ethyl)-
CID 3072034
Oxazolo(4,5-b)pyridin-2(3H)-one, 3-((4-(4-fluorophenyl)-1-piperazinyl)methyl)-
CID 3073120

Frequently Asked Questions

What is the IUPAC name of [1-(5-methoxy-2-pyridinyl)piperidin-4-yl] 4-cyclopropylpiperazine-1-carboxylate?
The IUPAC name of [1-(5-methoxy-2-pyridinyl)piperidin-4-yl] 4-cyclopropylpiperazine-1-carboxylate (CID 89488501) is [1-(5-methoxy-2-pyridinyl)piperidin-4-yl] 4-cyclopropylpiperazine-1-carboxylate.
What is the SMILES notation for [1-(5-methoxy-2-pyridinyl)piperidin-4-yl] 4-cyclopropylpiperazine-1-carboxylate?
The canonical SMILES for [1-(5-methoxy-2-pyridinyl)piperidin-4-yl] 4-cyclopropylpiperazine-1-carboxylate is COc1ccc(N2CCC(OC(=O)N3CCN(C4CC4)CC3)CC2)nc1.
What is the InChIKey of [1-(5-methoxy-2-pyridinyl)piperidin-4-yl] 4-cyclopropylpiperazine-1-carboxylate?
The InChIKey is KCDQDBZCBXAPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-25-17-4-5-18(20-14-17)22-8-6-16(7-9-22)26-19(24)23-12-10-21(11-13-23)15-2-3-15/h4-5,14-16H,2-3,6-13H2,1H3.
What are the key properties of [1-(5-methoxy-2-pyridinyl)piperidin-4-yl] 4-cyclopropylpiperazine-1-carboxylate?
[1-(5-methoxy-2-pyridinyl)piperidin-4-yl] 4-cyclopropylpiperazine-1-carboxylate has a molecular weight of 360.46 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-methoxy-2-pyridinyl)piperidin-4-yl] 4-cyclopropylpiperazine-1-carboxylate is sourced from PubChem (CID 89488501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).