N-cyclopentyl-5-[1-[2-(4-methoxyphenyl)acetyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide

C23H30N4O3 — CID 110268950

IUPACN-cyclopentyl-5-[1-[2-(4-methoxyphenyl)acetyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(CC(=O)N2CCCCC2c2cc(C(=O)NC3CCCC3)n[nH]2)cc1
InChIInChI=1S/C23H30N4O3/c1-30-18-11-9-16(10-12-18)14-22(28)27-13-5-4-8-21(27)19-15-20(26-25-19)23(29)24-17-6-2-3-7-17/h9-12,15,17,21H,2-8,13-14H2,1H3,(H,24,29)(H,25,26)
InChIKeyQDENDQNFOMVYBD-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.39
Rot. Bonds6

About N-cyclopentyl-5-[1-[2-(4-methoxyphenyl)acetyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide

N-cyclopentyl-5-[1-[2-(4-methoxyphenyl)acetyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide (PubChem CID 110268950) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-cyclopentyl-5-[1-[2-(4-methoxyphenyl)acetyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-[1-[2-(4-methoxyphenyl)acetyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide
PubChem CID110268950
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC NameN-cyclopentyl-5-[1-[2-(4-methoxyphenyl)acetyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(CC(=O)N2CCCCC2c2cc(C(=O)NC3CCCC3)n[nH]2)cc1
InChIInChI=1S/C23H30N4O3/c1-30-18-11-9-16(10-12-18)14-22(28)27-13-5-4-8-21(27)19-15-20(26-25-19)23(29)24-17-6-2-3-7-17/h9-12,15,17,21H,2-8,13-14H2,1H3,(H,24,29)(H,25,26)
InChIKeyQDENDQNFOMVYBD-UHFFFAOYSA-N
XLogP3.39
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-5-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 110268965
N-cyclopentyl-5-[(2S)-1-[3-(2,6-dioxo-1,3-diazinan-1-yl)propanoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 124978722
N-cyclopentyl-5-[1-(pyridine-3-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 110268878
N-cyclopropyl-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide
CID 166252601
2-(4-methoxyphenyl)-1-[2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]azepan-1-yl]ethanone
CID 110219894
2-(4-methoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 176781017
N-cyclopentyl-5-[(2S)-1-(3-phenylpropyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 95840522
2-(4-methoxyphenyl)-1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 124955488
2-(4-methoxyphenyl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 110104413
1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 94149813
2-(4-methoxyphenyl)-1-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95838301
1-[(2S)-2-[3-amino-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95840082

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-[1-[2-(4-methoxyphenyl)acetyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-cyclopentyl-5-[1-[2-(4-methoxyphenyl)acetyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide (CID 110268950) is N-cyclopentyl-5-[1-[2-(4-methoxyphenyl)acetyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-[1-[2-(4-methoxyphenyl)acetyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-cyclopentyl-5-[1-[2-(4-methoxyphenyl)acetyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide is COc1ccc(CC(=O)N2CCCCC2c2cc(C(=O)NC3CCCC3)n[nH]2)cc1.
What is the InChIKey of N-cyclopentyl-5-[1-[2-(4-methoxyphenyl)acetyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is QDENDQNFOMVYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-30-18-11-9-16(10-12-18)14-22(28)27-13-5-4-8-21(27)19-15-20(26-25-19)23(29)24-17-6-2-3-7-17/h9-12,15,17,21H,2-8,13-14H2,1H3,(H,24,29)(H,25,26).
What are the key properties of N-cyclopentyl-5-[1-[2-(4-methoxyphenyl)acetyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide?
N-cyclopentyl-5-[1-[2-(4-methoxyphenyl)acetyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-[1-[2-(4-methoxyphenyl)acetyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 110268950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).