N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-piperidin-1-ylethanamine

C25H45N5 — CID 45199949

IUPACN-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-piperidin-1-ylethanamine
SMILESCCc1nc(CN(CCN2CCCCC2)CC2CCCN(C3CCCC3)C2)c(C)[nH]1
InChIInChI=1S/C25H45N5/c1-3-25-26-21(2)24(27-25)20-29(17-16-28-13-7-4-8-14-28)18-22-10-9-15-30(19-22)23-11-5-6-12-23/h22-23H,3-20H2,1-2H3,(H,26,27)
InChIKeyXADRYDHHPKZIRR-UHFFFAOYSA-N
MW415.67 g/mol
LogP4.22
Rot. Bonds9

About N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-piperidin-1-ylethanamine

N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-piperidin-1-ylethanamine (PubChem CID 45199949) has the molecular formula C25H45N5 and a molecular weight of 415.67 g/mol. Its IUPAC name is N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-piperidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-piperidin-1-ylethanamine
PubChem CID45199949
Molecular FormulaC25H45N5
Molecular Weight415.67 g/mol
Exact Mass415.37
IUPAC NameN-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-piperidin-1-ylethanamine
SMILESCCc1nc(CN(CCN2CCCCC2)CC2CCCN(C3CCCC3)C2)c(C)[nH]1
InChIInChI=1S/C25H45N5/c1-3-25-26-21(2)24(27-25)20-29(17-16-28-13-7-4-8-14-28)18-22-10-9-15-30(19-22)23-11-5-6-12-23/h22-23H,3-20H2,1-2H3,(H,26,27)
InChIKeyXADRYDHHPKZIRR-UHFFFAOYSA-N
XLogP4.22
TPSA38.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.67
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-piperidin-1-ylethanamine?
The IUPAC name of N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-piperidin-1-ylethanamine (CID 45199949) is N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-piperidin-1-ylethanamine.
What is the SMILES notation for N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-piperidin-1-ylethanamine?
The canonical SMILES for N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-piperidin-1-ylethanamine is CCc1nc(CN(CCN2CCCCC2)CC2CCCN(C3CCCC3)C2)c(C)[nH]1.
What is the InChIKey of N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-piperidin-1-ylethanamine?
The InChIKey is XADRYDHHPKZIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H45N5/c1-3-25-26-21(2)24(27-25)20-29(17-16-28-13-7-4-8-14-28)18-22-10-9-15-30(19-22)23-11-5-6-12-23/h22-23H,3-20H2,1-2H3,(H,26,27).
What are the key properties of N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-piperidin-1-ylethanamine?
N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-piperidin-1-ylethanamine has a molecular weight of 415.67 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-piperidin-1-ylethanamine is sourced from PubChem (CID 45199949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).