N-(1-benzylpiperidin-4-yl)-2-piperidin-1-ylfuro[3,2-d]pyrimidin-4-amine

C23H29N5O — CID 122191213

IUPACN-(1-benzylpiperidin-4-yl)-2-piperidin-1-ylfuro[3,2-d]pyrimidin-4-amine
SMILESc1ccc(CN2CCC(Nc3nc(N4CCCCC4)nc4ccoc34)CC2)cc1
InChIInChI=1S/C23H29N5O/c1-3-7-18(8-4-1)17-27-14-9-19(10-15-27)24-22-21-20(11-16-29-21)25-23(26-22)28-12-5-2-6-13-28/h1,3-4,7-8,11,16,19H,2,5-6,9-10,12-15,17H2,(H,24,25,26)
InChIKeyMBULICVDCDGDJM-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.29
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-2-piperidin-1-ylfuro[3,2-d]pyrimidin-4-amine

N-(1-benzylpiperidin-4-yl)-2-piperidin-1-ylfuro[3,2-d]pyrimidin-4-amine (PubChem CID 122191213) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-piperidin-1-ylfuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-piperidin-1-ylfuro[3,2-d]pyrimidin-4-amine
PubChem CID122191213
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-piperidin-1-ylfuro[3,2-d]pyrimidin-4-amine
SMILESc1ccc(CN2CCC(Nc3nc(N4CCCCC4)nc4ccoc34)CC2)cc1
InChIInChI=1S/C23H29N5O/c1-3-7-18(8-4-1)17-27-14-9-19(10-15-27)24-22-21-20(11-16-29-21)25-23(26-22)28-12-5-2-6-13-28/h1,3-4,7-8,11,16,19H,2,5-6,9-10,12-15,17H2,(H,24,25,26)
InChIKeyMBULICVDCDGDJM-UHFFFAOYSA-N
XLogP4.29
TPSA57.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-benzylpiperidin-4-yl)-2-piperidin-1-ylfuro[3,2-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-piperidin-1-ylfuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-piperidin-1-ylfuro[3,2-d]pyrimidin-4-amine (CID 122191213) is N-(1-benzylpiperidin-4-yl)-2-piperidin-1-ylfuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-piperidin-1-ylfuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-piperidin-1-ylfuro[3,2-d]pyrimidin-4-amine is c1ccc(CN2CCC(Nc3nc(N4CCCCC4)nc4ccoc34)CC2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-piperidin-1-ylfuro[3,2-d]pyrimidin-4-amine?
The InChIKey is MBULICVDCDGDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-3-7-18(8-4-1)17-27-14-9-19(10-15-27)24-22-21-20(11-16-29-21)25-23(26-22)28-12-5-2-6-13-28/h1,3-4,7-8,11,16,19H,2,5-6,9-10,12-15,17H2,(H,24,25,26).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-piperidin-1-ylfuro[3,2-d]pyrimidin-4-amine?
N-(1-benzylpiperidin-4-yl)-2-piperidin-1-ylfuro[3,2-d]pyrimidin-4-amine has a molecular weight of 391.52 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-piperidin-1-ylfuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 122191213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).