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

C20H32N4O3 — CID 89487782

IUPAC[1-[4-(methoxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCOCc1ccnc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)c1
InChIInChI=1S/C20H32N4O3/c1-16(2)22-10-12-24(13-11-22)20(25)27-18-5-8-23(9-6-18)19-14-17(15-26-3)4-7-21-19/h4,7,14,16,18H,5-6,8-13,15H2,1-3H3
InChIKeyPTYWPLBCPAXVEZ-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.36
Rot. Bonds5

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

[1-[4-(methoxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (PubChem CID 89487782) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is [1-[4-(methoxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[1-[4-(methoxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
PubChem CID89487782
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Name[1-[4-(methoxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCOCc1ccnc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)c1
InChIInChI=1S/C20H32N4O3/c1-16(2)22-10-12-24(13-11-22)20(25)27-18-5-8-23(9-6-18)19-14-17(15-26-3)4-7-21-19/h4,7,14,16,18H,5-6,8-13,15H2,1-3H3
InChIKeyPTYWPLBCPAXVEZ-UHFFFAOYSA-N
XLogP2.36
TPSA58.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(methoxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The IUPAC name of [1-[4-(methoxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (CID 89487782) is [1-[4-(methoxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for [1-[4-(methoxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The canonical SMILES for [1-[4-(methoxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is COCc1ccnc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)c1.
What is the InChIKey of [1-[4-(methoxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The InChIKey is PTYWPLBCPAXVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-16(2)22-10-12-24(13-11-22)20(25)27-18-5-8-23(9-6-18)19-14-17(15-26-3)4-7-21-19/h4,7,14,16,18H,5-6,8-13,15H2,1-3H3.
What are the key properties of [1-[4-(methoxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
[1-[4-(methoxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate has a molecular weight of 376.50 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(methoxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 89487782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).