N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-4-cyclobutyloxypiperidine-1-carboxamide

C15H23ClN4O2 — CID 128781624

IUPACN-[(4-chloro-1-methylpyrazol-3-yl)methyl]-4-cyclobutyloxypiperidine-1-carboxamide
SMILESCn1cc(Cl)c(CNC(=O)N2CCC(OC3CCC3)CC2)n1
InChIInChI=1S/C15H23ClN4O2/c1-19-10-13(16)14(18-19)9-17-15(21)20-7-5-12(6-8-20)22-11-3-2-4-11/h10-12H,2-9H2,1H3,(H,17,21)
InChIKeyQOHPFJUBPUSZLQ-UHFFFAOYSA-N
MW326.83 g/mol
LogP2.32
Rot. Bonds4

About N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-4-cyclobutyloxypiperidine-1-carboxamide

N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-4-cyclobutyloxypiperidine-1-carboxamide (PubChem CID 128781624) has the molecular formula C15H23ClN4O2 and a molecular weight of 326.83 g/mol. Its IUPAC name is N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-4-cyclobutyloxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-chloro-1-methylpyrazol-3-yl)methyl]-4-cyclobutyloxypiperidine-1-carboxamide
PubChem CID128781624
Molecular FormulaC15H23ClN4O2
Molecular Weight326.83 g/mol
Exact Mass326.15
IUPAC NameN-[(4-chloro-1-methylpyrazol-3-yl)methyl]-4-cyclobutyloxypiperidine-1-carboxamide
SMILESCn1cc(Cl)c(CNC(=O)N2CCC(OC3CCC3)CC2)n1
InChIInChI=1S/C15H23ClN4O2/c1-19-10-13(16)14(18-19)9-17-15(21)20-7-5-12(6-8-20)22-11-3-2-4-11/h10-12H,2-9H2,1H3,(H,17,21)
InChIKeyQOHPFJUBPUSZLQ-UHFFFAOYSA-N
XLogP2.32
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-4-cyclobutyloxypiperidine-1-carboxamide?
The IUPAC name of N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-4-cyclobutyloxypiperidine-1-carboxamide (CID 128781624) is N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-4-cyclobutyloxypiperidine-1-carboxamide.
What is the SMILES notation for N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-4-cyclobutyloxypiperidine-1-carboxamide?
The canonical SMILES for N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-4-cyclobutyloxypiperidine-1-carboxamide is Cn1cc(Cl)c(CNC(=O)N2CCC(OC3CCC3)CC2)n1.
What is the InChIKey of N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-4-cyclobutyloxypiperidine-1-carboxamide?
The InChIKey is QOHPFJUBPUSZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O2/c1-19-10-13(16)14(18-19)9-17-15(21)20-7-5-12(6-8-20)22-11-3-2-4-11/h10-12H,2-9H2,1H3,(H,17,21).
What are the key properties of N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-4-cyclobutyloxypiperidine-1-carboxamide?
N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-4-cyclobutyloxypiperidine-1-carboxamide has a molecular weight of 326.83 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-4-cyclobutyloxypiperidine-1-carboxamide is sourced from PubChem (CID 128781624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).