2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-[(5-methylfuran-2-yl)methyl]piperidine

C17H24N4O — CID 91653965

IUPAC2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-[(5-methylfuran-2-yl)methyl]piperidine
SMILESCc1ccc(CN2CCCCC2c2nncn2CC2CC2)o1
InChIInChI=1S/C17H24N4O/c1-13-5-8-15(22-13)11-20-9-3-2-4-16(20)17-19-18-12-21(17)10-14-6-7-14/h5,8,12,14,16H,2-4,6-7,9-11H2,1H3
InChIKeyMCYUYMLBUZMRDU-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.32
Rot. Bonds5

About 2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-[(5-methylfuran-2-yl)methyl]piperidine

2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-[(5-methylfuran-2-yl)methyl]piperidine (PubChem CID 91653965) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-[(5-methylfuran-2-yl)methyl]piperidine.

Molecular Properties

Compound Name2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-[(5-methylfuran-2-yl)methyl]piperidine
PubChem CID91653965
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-[(5-methylfuran-2-yl)methyl]piperidine
SMILESCc1ccc(CN2CCCCC2c2nncn2CC2CC2)o1
InChIInChI=1S/C17H24N4O/c1-13-5-8-15(22-13)11-20-9-3-2-4-16(20)17-19-18-12-21(17)10-14-6-7-14/h5,8,12,14,16H,2-4,6-7,9-11H2,1H3
InChIKeyMCYUYMLBUZMRDU-UHFFFAOYSA-N
XLogP3.32
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-[(5-methylfuran-2-yl)methyl]piperidine?
The IUPAC name of 2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-[(5-methylfuran-2-yl)methyl]piperidine (CID 91653965) is 2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-[(5-methylfuran-2-yl)methyl]piperidine.
What is the SMILES notation for 2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-[(5-methylfuran-2-yl)methyl]piperidine?
The canonical SMILES for 2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-[(5-methylfuran-2-yl)methyl]piperidine is Cc1ccc(CN2CCCCC2c2nncn2CC2CC2)o1.
What is the InChIKey of 2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-[(5-methylfuran-2-yl)methyl]piperidine?
The InChIKey is MCYUYMLBUZMRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-13-5-8-15(22-13)11-20-9-3-2-4-16(20)17-19-18-12-21(17)10-14-6-7-14/h5,8,12,14,16H,2-4,6-7,9-11H2,1H3.
What are the key properties of 2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-[(5-methylfuran-2-yl)methyl]piperidine?
2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-[(5-methylfuran-2-yl)methyl]piperidine has a molecular weight of 300.41 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-[(5-methylfuran-2-yl)methyl]piperidine is sourced from PubChem (CID 91653965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).