1-[2-(4-chlorophenyl)ethyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide

C20H25ClN4O2 — CID 24819189

IUPAC1-[2-(4-chlorophenyl)ethyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCn1cc(CCNC(=O)C2CCC(=O)N(CCc3ccc(Cl)cc3)C2)cn1
InChIInChI=1S/C20H25ClN4O2/c1-24-13-16(12-23-24)8-10-22-20(27)17-4-7-19(26)25(14-17)11-9-15-2-5-18(21)6-3-15/h2-3,5-6,12-13,17H,4,7-11,14H2,1H3,(H,22,27)
InChIKeyHLOVSPTULVFQQT-UHFFFAOYSA-N
MW388.90 g/mol
LogP2.21
Rot. Bonds7

About 1-[2-(4-chlorophenyl)ethyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide

1-[2-(4-chlorophenyl)ethyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24819189) has the molecular formula C20H25ClN4O2 and a molecular weight of 388.90 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide
PubChem CID24819189
Molecular FormulaC20H25ClN4O2
Molecular Weight388.90 g/mol
Exact Mass388.17
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCn1cc(CCNC(=O)C2CCC(=O)N(CCc3ccc(Cl)cc3)C2)cn1
InChIInChI=1S/C20H25ClN4O2/c1-24-13-16(12-23-24)8-10-22-20(27)17-4-7-19(26)25(14-17)11-9-15-2-5-18(21)6-3-15/h2-3,5-6,12-13,17H,4,7-11,14H2,1H3,(H,22,27)
InChIKeyHLOVSPTULVFQQT-UHFFFAOYSA-N
XLogP2.21
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide (CID 24819189) is 1-[2-(4-chlorophenyl)ethyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide is Cn1cc(CCNC(=O)C2CCC(=O)N(CCc3ccc(Cl)cc3)C2)cn1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is HLOVSPTULVFQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O2/c1-24-13-16(12-23-24)8-10-22-20(27)17-4-7-19(26)25(14-17)11-9-15-2-5-18(21)6-3-15/h2-3,5-6,12-13,17H,4,7-11,14H2,1H3,(H,22,27).
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide?
1-[2-(4-chlorophenyl)ethyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 388.90 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24819189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).