(3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine

C15H23N5 — CID 124956560

IUPAC(3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine
SMILESCc1cn[nH]c1C[C@H]1CCCN(Cc2nc[nH]c2C)C1
InChIInChI=1S/C15H23N5/c1-11-7-18-19-14(11)6-13-4-3-5-20(8-13)9-15-12(2)16-10-17-15/h7,10,13H,3-6,8-9H2,1-2H3,(H,16,17)(H,18,19)/t13-/m1/s1
InChIKeyFSJCSFONPJAOLG-CYBMUJFWSA-N
MW273.38 g/mol
LogP2.20
Rot. Bonds4

About (3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine

(3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine (PubChem CID 124956560) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is (3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine.

Molecular Properties

Compound Name(3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine
PubChem CID124956560
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name(3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine
SMILESCc1cn[nH]c1C[C@H]1CCCN(Cc2nc[nH]c2C)C1
InChIInChI=1S/C15H23N5/c1-11-7-18-19-14(11)6-13-4-3-5-20(8-13)9-15-12(2)16-10-17-15/h7,10,13H,3-6,8-9H2,1-2H3,(H,16,17)(H,18,19)/t13-/m1/s1
InChIKeyFSJCSFONPJAOLG-CYBMUJFWSA-N
XLogP2.20
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine?
The IUPAC name of (3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine (CID 124956560) is (3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine.
What is the SMILES notation for (3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine?
The canonical SMILES for (3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine is Cc1cn[nH]c1C[C@H]1CCCN(Cc2nc[nH]c2C)C1.
What is the InChIKey of (3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine?
The InChIKey is FSJCSFONPJAOLG-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23N5/c1-11-7-18-19-14(11)6-13-4-3-5-20(8-13)9-15-12(2)16-10-17-15/h7,10,13H,3-6,8-9H2,1-2H3,(H,16,17)(H,18,19)/t13-/m1/s1.
What are the key properties of (3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine?
(3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine has a molecular weight of 273.38 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine is sourced from PubChem (CID 124956560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).