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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Related Compounds

(3aS,6aR)-2-[(4-chloro-1-methylpyrazol-3-yl)methylcarbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122016341
2-chloro-N-[(4-chloro-1-methylpyrazol-3-yl)methyl]acetamide
CID 131071456
N-[(4-bromo-1-methylpyrazol-3-yl)methyl]-3-cyclopentylpyrrolidine-1-carboxamide
CID 128854687
4-[(4-chloro-1-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122016339
1-[(4-bromo-1-methylpyrazol-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122016380
4-cyclopentyloxy-N-methylpiperidine-1-carboxamide
CID 71687221
3-cyclopropyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 126806353
(3S)-3-[(dimethylamino)methyl]-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 99628750
4-(4-chlorophenoxy)-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide
CID 24748603
N-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 103908575
4-[(3-chloro-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 71798885
N-[(1-methylpyrazol-4-yl)methyl]azepane-1-carboxamide
CID 115590808

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).