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

C19H30N4O3 — CID 89487846

IUPAC[1-(4-methoxy-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCOc1ccnc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)c1
InChIInChI=1S/C19H30N4O3/c1-15(2)21-10-12-23(13-11-21)19(24)26-16-5-8-22(9-6-16)18-14-17(25-3)4-7-20-18/h4,7,14-16H,5-6,8-13H2,1-3H3
InChIKeySJZVXVWCJJLAOM-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.22
Rot. Bonds4

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

[1-(4-methoxy-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (PubChem CID 89487846) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is [1-(4-methoxy-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[1-(4-methoxy-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
PubChem CID89487846
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name[1-(4-methoxy-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCOc1ccnc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)c1
InChIInChI=1S/C19H30N4O3/c1-15(2)21-10-12-23(13-11-21)19(24)26-16-5-8-22(9-6-16)18-14-17(25-3)4-7-20-18/h4,7,14-16H,5-6,8-13H2,1-3H3
InChIKeySJZVXVWCJJLAOM-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

Analyze [1-(4-methoxy-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

Ethyl 4-[(4-methoxypyridin-2-yl)amino]piperidine-1-carboxylate
CID 11161781
(1-Pyridin-2-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate
CID 89487613
[1-(6-Methoxy-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487854
[1-(5-Fluoro-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
CID 89487906
[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
[1-(4-Fluoro-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487403
[1-[4-(Trifluoromethyl)pyridin-2-yl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487566
(1-Pyridin-2-ylpiperidin-4-yl) 4-propan-2-ylpiperazine-1-carboxylate
CID 89487574
[1-(5-Methyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487728
[1-[4-(Methoxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487782
[1-(5-Fluoro-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487858

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxy-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The IUPAC name of [1-(4-methoxy-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (CID 89487846) is [1-(4-methoxy-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for [1-(4-methoxy-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The canonical SMILES for [1-(4-methoxy-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is COc1ccnc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)c1.
What is the InChIKey of [1-(4-methoxy-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The InChIKey is SJZVXVWCJJLAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-15(2)21-10-12-23(13-11-21)19(24)26-16-5-8-22(9-6-16)18-14-17(25-3)4-7-20-18/h4,7,14-16H,5-6,8-13H2,1-3H3.
What are the key properties of [1-(4-methoxy-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
[1-(4-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-(4-methoxy-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 89487846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).