1-[(5-methylpyrazolidin-3-yl)methyl]-4-(4-thiophen-3-yltriazol-1-yl)piperidine

C16H24N6S — CID 74555016

IUPAC1-[(5-methylpyrazolidin-3-yl)methyl]-4-(4-thiophen-3-yltriazol-1-yl)piperidine
SMILESCC1CC(CN2CCC(n3cc(-c4ccsc4)nn3)CC2)NN1
InChIInChI=1S/C16H24N6S/c1-12-8-14(18-17-12)9-21-5-2-15(3-6-21)22-10-16(19-20-22)13-4-7-23-11-13/h4,7,10-12,14-15,17-18H,2-3,5-6,8-9H2,1H3
InChIKeyABBNVFOFSIGKCK-UHFFFAOYSA-N
MW332.48 g/mol
LogP1.90
Rot. Bonds4

About 1-[(5-methylpyrazolidin-3-yl)methyl]-4-(4-thiophen-3-yltriazol-1-yl)piperidine

1-[(5-methylpyrazolidin-3-yl)methyl]-4-(4-thiophen-3-yltriazol-1-yl)piperidine (PubChem CID 74555016) has the molecular formula C16H24N6S and a molecular weight of 332.48 g/mol. Its IUPAC name is 1-[(5-methylpyrazolidin-3-yl)methyl]-4-(4-thiophen-3-yltriazol-1-yl)piperidine.

Molecular Properties

Compound Name1-[(5-methylpyrazolidin-3-yl)methyl]-4-(4-thiophen-3-yltriazol-1-yl)piperidine
PubChem CID74555016
Molecular FormulaC16H24N6S
Molecular Weight332.48 g/mol
Exact Mass332.18
IUPAC Name1-[(5-methylpyrazolidin-3-yl)methyl]-4-(4-thiophen-3-yltriazol-1-yl)piperidine
SMILESCC1CC(CN2CCC(n3cc(-c4ccsc4)nn3)CC2)NN1
InChIInChI=1S/C16H24N6S/c1-12-8-14(18-17-12)9-21-5-2-15(3-6-21)22-10-16(19-20-22)13-4-7-23-11-13/h4,7,10-12,14-15,17-18H,2-3,5-6,8-9H2,1H3
InChIKeyABBNVFOFSIGKCK-UHFFFAOYSA-N
XLogP1.90
TPSA58.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.48
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylpyrazolidin-3-yl)methyl]-4-(4-thiophen-3-yltriazol-1-yl)piperidine?
The IUPAC name of 1-[(5-methylpyrazolidin-3-yl)methyl]-4-(4-thiophen-3-yltriazol-1-yl)piperidine (CID 74555016) is 1-[(5-methylpyrazolidin-3-yl)methyl]-4-(4-thiophen-3-yltriazol-1-yl)piperidine.
What is the SMILES notation for 1-[(5-methylpyrazolidin-3-yl)methyl]-4-(4-thiophen-3-yltriazol-1-yl)piperidine?
The canonical SMILES for 1-[(5-methylpyrazolidin-3-yl)methyl]-4-(4-thiophen-3-yltriazol-1-yl)piperidine is CC1CC(CN2CCC(n3cc(-c4ccsc4)nn3)CC2)NN1.
What is the InChIKey of 1-[(5-methylpyrazolidin-3-yl)methyl]-4-(4-thiophen-3-yltriazol-1-yl)piperidine?
The InChIKey is ABBNVFOFSIGKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6S/c1-12-8-14(18-17-12)9-21-5-2-15(3-6-21)22-10-16(19-20-22)13-4-7-23-11-13/h4,7,10-12,14-15,17-18H,2-3,5-6,8-9H2,1H3.
What are the key properties of 1-[(5-methylpyrazolidin-3-yl)methyl]-4-(4-thiophen-3-yltriazol-1-yl)piperidine?
1-[(5-methylpyrazolidin-3-yl)methyl]-4-(4-thiophen-3-yltriazol-1-yl)piperidine has a molecular weight of 332.48 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylpyrazolidin-3-yl)methyl]-4-(4-thiophen-3-yltriazol-1-yl)piperidine is sourced from PubChem (CID 74555016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).