1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-4-(2-pyrazol-1-ylethyl)piperidine

C20H31N5 — CID 70727682

IUPAC1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-4-(2-pyrazol-1-ylethyl)piperidine
SMILESc1cnn(CCC2CCN(Cc3cnc(CC4CCCC4)[nH]3)CC2)c1
InChIInChI=1S/C20H31N5/c1-2-5-18(4-1)14-20-21-15-19(23-20)16-24-11-6-17(7-12-24)8-13-25-10-3-9-22-25/h3,9-10,15,17-18H,1-2,4-8,11-14,16H2,(H,21,23)
InChIKeyJKUXQLSHZIMCPD-UHFFFAOYSA-N
MW341.50 g/mol
LogP3.64
Rot. Bonds7

About 1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-4-(2-pyrazol-1-ylethyl)piperidine

1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-4-(2-pyrazol-1-ylethyl)piperidine (PubChem CID 70727682) has the molecular formula C20H31N5 and a molecular weight of 341.50 g/mol. Its IUPAC name is 1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-4-(2-pyrazol-1-ylethyl)piperidine.

Molecular Properties

Compound Name1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-4-(2-pyrazol-1-ylethyl)piperidine
PubChem CID70727682
Molecular FormulaC20H31N5
Molecular Weight341.50 g/mol
Exact Mass341.26
IUPAC Name1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-4-(2-pyrazol-1-ylethyl)piperidine
SMILESc1cnn(CCC2CCN(Cc3cnc(CC4CCCC4)[nH]3)CC2)c1
InChIInChI=1S/C20H31N5/c1-2-5-18(4-1)14-20-21-15-19(23-20)16-24-11-6-17(7-12-24)8-13-25-10-3-9-22-25/h3,9-10,15,17-18H,1-2,4-8,11-14,16H2,(H,21,23)
InChIKeyJKUXQLSHZIMCPD-UHFFFAOYSA-N
XLogP3.64
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-4-(2-pyrazol-1-ylethyl)piperidine?
The IUPAC name of 1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-4-(2-pyrazol-1-ylethyl)piperidine (CID 70727682) is 1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-4-(2-pyrazol-1-ylethyl)piperidine.
What is the SMILES notation for 1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-4-(2-pyrazol-1-ylethyl)piperidine?
The canonical SMILES for 1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-4-(2-pyrazol-1-ylethyl)piperidine is c1cnn(CCC2CCN(Cc3cnc(CC4CCCC4)[nH]3)CC2)c1.
What is the InChIKey of 1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-4-(2-pyrazol-1-ylethyl)piperidine?
The InChIKey is JKUXQLSHZIMCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5/c1-2-5-18(4-1)14-20-21-15-19(23-20)16-24-11-6-17(7-12-24)8-13-25-10-3-9-22-25/h3,9-10,15,17-18H,1-2,4-8,11-14,16H2,(H,21,23).
What are the key properties of 1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-4-(2-pyrazol-1-ylethyl)piperidine?
1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-4-(2-pyrazol-1-ylethyl)piperidine has a molecular weight of 341.50 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-4-(2-pyrazol-1-ylethyl)piperidine is sourced from PubChem (CID 70727682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).