N-[5-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide

C21H28N4O2 — CID 97343253

IUPACN-[5-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
SMILESCCC(CC)C(=O)N1CCC[C@H](c2[nH]ncc2NC(=O)c2ccccc2)C1
InChIInChI=1S/C21H28N4O2/c1-3-15(4-2)21(27)25-12-8-11-17(14-25)19-18(13-22-24-19)23-20(26)16-9-6-5-7-10-16/h5-7,9-10,13,15,17H,3-4,8,11-12,14H2,1-2H3,(H,22,24)(H,23,26)/t17-/m0/s1
InChIKeyFFFOHXDROAWZGF-KRWDZBQOSA-N
MW368.48 g/mol
LogP3.80
Rot. Bonds6

About N-[5-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide

N-[5-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide (PubChem CID 97343253) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[5-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-[5-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
PubChem CID97343253
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-[5-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
SMILESCCC(CC)C(=O)N1CCC[C@H](c2[nH]ncc2NC(=O)c2ccccc2)C1
InChIInChI=1S/C21H28N4O2/c1-3-15(4-2)21(27)25-12-8-11-17(14-25)19-18(13-22-24-19)23-20(26)16-9-6-5-7-10-16/h5-7,9-10,13,15,17H,3-4,8,11-12,14H2,1-2H3,(H,22,24)(H,23,26)/t17-/m0/s1
InChIKeyFFFOHXDROAWZGF-KRWDZBQOSA-N
XLogP3.80
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-4-yl]benzamide
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N-[5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
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N-[5-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97343239
N-[5-[1-(4-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
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N-[5-[(3S)-1-(3-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97343244
N-[5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
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N-[5-[(3R)-1-(3-cyano-2-pyridinyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97343961
N-[5-[1-(1-phenylcyclobutanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
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4-methoxy-N-[5-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
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1-ethyl-3-[5-[1-(2-phenylethyl)piperidin-3-yl]-1H-pyrazol-4-yl]urea
CID 75474474
(3S)-3-(4-acetamido-1H-pyrazol-5-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide
CID 97343503
2-ethyl-1-[(3R)-3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]butan-1-one
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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide?
The IUPAC name of N-[5-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide (CID 97343253) is N-[5-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide.
What is the SMILES notation for N-[5-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide?
The canonical SMILES for N-[5-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide is CCC(CC)C(=O)N1CCC[C@H](c2[nH]ncc2NC(=O)c2ccccc2)C1.
What is the InChIKey of N-[5-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide?
The InChIKey is FFFOHXDROAWZGF-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-3-15(4-2)21(27)25-12-8-11-17(14-25)19-18(13-22-24-19)23-20(26)16-9-6-5-7-10-16/h5-7,9-10,13,15,17H,3-4,8,11-12,14H2,1-2H3,(H,22,24)(H,23,26)/t17-/m0/s1.
What are the key properties of N-[5-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide?
N-[5-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide has a molecular weight of 368.48 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide is sourced from PubChem (CID 97343253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).