N-[3-(6-oxopiperidin-2-yl)phenyl]-1-piperidin-3-ylpyrazole-4-carboxamide

C20H25N5O2 — CID 166251956

IUPACN-[3-(6-oxopiperidin-2-yl)phenyl]-1-piperidin-3-ylpyrazole-4-carboxamide
SMILESO=C1CCCC(c2cccc(NC(=O)c3cnn(C4CCCNC4)c3)c2)N1
InChIInChI=1S/C20H25N5O2/c26-19-8-2-7-18(24-19)14-4-1-5-16(10-14)23-20(27)15-11-22-25(13-15)17-6-3-9-21-12-17/h1,4-5,10-11,13,17-18,21H,2-3,6-9,12H2,(H,23,27)(H,24,26)
InChIKeyNQPIQDXSJUBGLR-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.40
Rot. Bonds4

About N-[3-(6-oxopiperidin-2-yl)phenyl]-1-piperidin-3-ylpyrazole-4-carboxamide

N-[3-(6-oxopiperidin-2-yl)phenyl]-1-piperidin-3-ylpyrazole-4-carboxamide (PubChem CID 166251956) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[3-(6-oxopiperidin-2-yl)phenyl]-1-piperidin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(6-oxopiperidin-2-yl)phenyl]-1-piperidin-3-ylpyrazole-4-carboxamide
PubChem CID166251956
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-[3-(6-oxopiperidin-2-yl)phenyl]-1-piperidin-3-ylpyrazole-4-carboxamide
SMILESO=C1CCCC(c2cccc(NC(=O)c3cnn(C4CCCNC4)c3)c2)N1
InChIInChI=1S/C20H25N5O2/c26-19-8-2-7-18(24-19)14-4-1-5-16(10-14)23-20(27)15-11-22-25(13-15)17-6-3-9-21-12-17/h1,4-5,10-11,13,17-18,21H,2-3,6-9,12H2,(H,23,27)(H,24,26)
InChIKeyNQPIQDXSJUBGLR-UHFFFAOYSA-N
XLogP2.40
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(2,4-difluorophenoxy)-3-pyridinyl]-1-piperidin-3-ylpyrazole-4-carboxamide
CID 167947861
N-[2-(cyclopropylamino)-2-oxoethyl]-1-piperidin-3-ylpyrazole-4-carboxamide
CID 138001192
4-methyl-N-[3-(6-oxopiperidin-2-yl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 166252573
1-phenyl-3-[3-[(3R)-piperidin-3-yl]phenyl]urea
CID 124564227
4-methoxy-N-[3-(5-oxopyrrolidin-2-yl)phenyl]pyridine-3-carboxamide
CID 167991293
1-benzyl-3,5-dimethyl-N-[3-(5-oxopyrrolidin-2-yl)phenyl]pyrazole-4-carboxamide
CID 166237160
1-[(4R)-azepan-4-yl]pyrazole-4-carboxamide
CID 95804927
(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-(1-piperidin-3-ylpyrazol-4-yl)methanone
CID 167927902
7-fluoro-N-[3-(5-oxopyrrolidin-2-yl)phenyl]isoquinoline-6-carboxamide
CID 167861382
1-cyclopentyl-N-(1H-indol-3-yl)pyrazole-4-carboxamide
CID 154652767
N-[3-[(2S)-pyrrolidin-2-yl]phenyl]acetamide
CID 66518494
1-cyclopropyl-N-(1-oxo-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide
CID 167794491

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-oxopiperidin-2-yl)phenyl]-1-piperidin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-[3-(6-oxopiperidin-2-yl)phenyl]-1-piperidin-3-ylpyrazole-4-carboxamide (CID 166251956) is N-[3-(6-oxopiperidin-2-yl)phenyl]-1-piperidin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(6-oxopiperidin-2-yl)phenyl]-1-piperidin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-(6-oxopiperidin-2-yl)phenyl]-1-piperidin-3-ylpyrazole-4-carboxamide is O=C1CCCC(c2cccc(NC(=O)c3cnn(C4CCCNC4)c3)c2)N1.
What is the InChIKey of N-[3-(6-oxopiperidin-2-yl)phenyl]-1-piperidin-3-ylpyrazole-4-carboxamide?
The InChIKey is NQPIQDXSJUBGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c26-19-8-2-7-18(24-19)14-4-1-5-16(10-14)23-20(27)15-11-22-25(13-15)17-6-3-9-21-12-17/h1,4-5,10-11,13,17-18,21H,2-3,6-9,12H2,(H,23,27)(H,24,26).
What are the key properties of N-[3-(6-oxopiperidin-2-yl)phenyl]-1-piperidin-3-ylpyrazole-4-carboxamide?
N-[3-(6-oxopiperidin-2-yl)phenyl]-1-piperidin-3-ylpyrazole-4-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.40, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-oxopiperidin-2-yl)phenyl]-1-piperidin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 166251956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).