methyl 4-(4-pyrazol-1-ylbutan-2-ylamino)piperidine-1-carboxylate

C14H24N4O2 — CID 86784762

IUPACmethyl 4-(4-pyrazol-1-ylbutan-2-ylamino)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(C)CCn2cccn2)CC1
InChIInChI=1S/C14H24N4O2/c1-12(4-11-18-8-3-7-15-18)16-13-5-9-17(10-6-13)14(19)20-2/h3,7-8,12-13,16H,4-6,9-11H2,1-2H3
InChIKeyXGOGIYWNNZLAAN-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.48
Rot. Bonds5

About methyl 4-(4-pyrazol-1-ylbutan-2-ylamino)piperidine-1-carboxylate

methyl 4-(4-pyrazol-1-ylbutan-2-ylamino)piperidine-1-carboxylate (PubChem CID 86784762) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is methyl 4-(4-pyrazol-1-ylbutan-2-ylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-pyrazol-1-ylbutan-2-ylamino)piperidine-1-carboxylate
PubChem CID86784762
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Namemethyl 4-(4-pyrazol-1-ylbutan-2-ylamino)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(C)CCn2cccn2)CC1
InChIInChI=1S/C14H24N4O2/c1-12(4-11-18-8-3-7-15-18)16-13-5-9-17(10-6-13)14(19)20-2/h3,7-8,12-13,16H,4-6,9-11H2,1-2H3
InChIKeyXGOGIYWNNZLAAN-UHFFFAOYSA-N
XLogP1.48
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-pyrazol-1-ylbutan-2-ylamino)piperidine-1-carboxylate?
The IUPAC name of methyl 4-(4-pyrazol-1-ylbutan-2-ylamino)piperidine-1-carboxylate (CID 86784762) is methyl 4-(4-pyrazol-1-ylbutan-2-ylamino)piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-(4-pyrazol-1-ylbutan-2-ylamino)piperidine-1-carboxylate?
The canonical SMILES for methyl 4-(4-pyrazol-1-ylbutan-2-ylamino)piperidine-1-carboxylate is COC(=O)N1CCC(NC(C)CCn2cccn2)CC1.
What is the InChIKey of methyl 4-(4-pyrazol-1-ylbutan-2-ylamino)piperidine-1-carboxylate?
The InChIKey is XGOGIYWNNZLAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-12(4-11-18-8-3-7-15-18)16-13-5-9-17(10-6-13)14(19)20-2/h3,7-8,12-13,16H,4-6,9-11H2,1-2H3.
What are the key properties of methyl 4-(4-pyrazol-1-ylbutan-2-ylamino)piperidine-1-carboxylate?
methyl 4-(4-pyrazol-1-ylbutan-2-ylamino)piperidine-1-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-pyrazol-1-ylbutan-2-ylamino)piperidine-1-carboxylate is sourced from PubChem (CID 86784762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).