N-[[(3R)-1-cyclopentylpiperidin-3-yl]methyl]-N-[[5-(methoxymethyl)furan-2-yl]methyl]-2-piperidin-1-ylethanamine

C25H43N3O2 — CID 29188747

IUPACN-[[(3R)-1-cyclopentylpiperidin-3-yl]methyl]-N-[[5-(methoxymethyl)furan-2-yl]methyl]-2-piperidin-1-ylethanamine
SMILESCOCc1ccc(CN(CCN2CCCCC2)C[C@H]2CCCN(C3CCCC3)C2)o1
InChIInChI=1S/C25H43N3O2/c1-29-21-25-12-11-24(30-25)20-27(17-16-26-13-5-2-6-14-26)18-22-8-7-15-28(19-22)23-9-3-4-10-23/h11-12,22-23H,2-10,13-21H2,1H3/t22-/m1/s1
InChIKeyVRAFUDIFISRQAZ-JOCHJYFZSA-N
MW417.64 g/mol
LogP4.37
Rot. Bonds10

About N-[[(3R)-1-cyclopentylpiperidin-3-yl]methyl]-N-[[5-(methoxymethyl)furan-2-yl]methyl]-2-piperidin-1-ylethanamine

N-[[(3R)-1-cyclopentylpiperidin-3-yl]methyl]-N-[[5-(methoxymethyl)furan-2-yl]methyl]-2-piperidin-1-ylethanamine (PubChem CID 29188747) has the molecular formula C25H43N3O2 and a molecular weight of 417.64 g/mol. Its IUPAC name is N-[[(3R)-1-cyclopentylpiperidin-3-yl]methyl]-N-[[5-(methoxymethyl)furan-2-yl]methyl]-2-piperidin-1-ylethanamine.

Molecular Properties

Compound NameN-[[(3R)-1-cyclopentylpiperidin-3-yl]methyl]-N-[[5-(methoxymethyl)furan-2-yl]methyl]-2-piperidin-1-ylethanamine
PubChem CID29188747
Molecular FormulaC25H43N3O2
Molecular Weight417.64 g/mol
Exact Mass417.34
IUPAC NameN-[[(3R)-1-cyclopentylpiperidin-3-yl]methyl]-N-[[5-(methoxymethyl)furan-2-yl]methyl]-2-piperidin-1-ylethanamine
SMILESCOCc1ccc(CN(CCN2CCCCC2)C[C@H]2CCCN(C3CCCC3)C2)o1
InChIInChI=1S/C25H43N3O2/c1-29-21-25-12-11-24(30-25)20-27(17-16-26-13-5-2-6-14-26)18-22-8-7-15-28(19-22)23-9-3-4-10-23/h11-12,22-23H,2-10,13-21H2,1H3/t22-/m1/s1
InChIKeyVRAFUDIFISRQAZ-JOCHJYFZSA-N
XLogP4.37
TPSA32.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.64
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-cyclopentylpiperidin-3-yl]methyl]-N-[[5-(methoxymethyl)furan-2-yl]methyl]-2-piperidin-1-ylethanamine?
The IUPAC name of N-[[(3R)-1-cyclopentylpiperidin-3-yl]methyl]-N-[[5-(methoxymethyl)furan-2-yl]methyl]-2-piperidin-1-ylethanamine (CID 29188747) is N-[[(3R)-1-cyclopentylpiperidin-3-yl]methyl]-N-[[5-(methoxymethyl)furan-2-yl]methyl]-2-piperidin-1-ylethanamine.
What is the SMILES notation for N-[[(3R)-1-cyclopentylpiperidin-3-yl]methyl]-N-[[5-(methoxymethyl)furan-2-yl]methyl]-2-piperidin-1-ylethanamine?
The canonical SMILES for N-[[(3R)-1-cyclopentylpiperidin-3-yl]methyl]-N-[[5-(methoxymethyl)furan-2-yl]methyl]-2-piperidin-1-ylethanamine is COCc1ccc(CN(CCN2CCCCC2)C[C@H]2CCCN(C3CCCC3)C2)o1.
What is the InChIKey of N-[[(3R)-1-cyclopentylpiperidin-3-yl]methyl]-N-[[5-(methoxymethyl)furan-2-yl]methyl]-2-piperidin-1-ylethanamine?
The InChIKey is VRAFUDIFISRQAZ-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H43N3O2/c1-29-21-25-12-11-24(30-25)20-27(17-16-26-13-5-2-6-14-26)18-22-8-7-15-28(19-22)23-9-3-4-10-23/h11-12,22-23H,2-10,13-21H2,1H3/t22-/m1/s1.
What are the key properties of N-[[(3R)-1-cyclopentylpiperidin-3-yl]methyl]-N-[[5-(methoxymethyl)furan-2-yl]methyl]-2-piperidin-1-ylethanamine?
N-[[(3R)-1-cyclopentylpiperidin-3-yl]methyl]-N-[[5-(methoxymethyl)furan-2-yl]methyl]-2-piperidin-1-ylethanamine has a molecular weight of 417.64 g/mol, XLogP of 4.37, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-cyclopentylpiperidin-3-yl]methyl]-N-[[5-(methoxymethyl)furan-2-yl]methyl]-2-piperidin-1-ylethanamine is sourced from PubChem (CID 29188747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).