1-[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanoyl]piperidine-3-carboxamide

C22H30FN5O2 — CID 56571157

IUPAC1-[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanoyl]piperidine-3-carboxamide
SMILESCC(C(=O)N1CCCC(C(N)=O)C1)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C22H30FN5O2/c1-15(22(30)28-12-3-5-17(14-28)21(24)29)27(2)11-4-6-19-13-20(26-25-19)16-7-9-18(23)10-8-16/h7-10,13,15,17H,3-6,11-12,14H2,1-2H3,(H2,24,29)(H,25,26)
InChIKeyOASKOCVYAMFJKA-UHFFFAOYSA-N
MW415.51 g/mol
LogP2.19
Rot. Bonds8

About 1-[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanoyl]piperidine-3-carboxamide

1-[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanoyl]piperidine-3-carboxamide (PubChem CID 56571157) has the molecular formula C22H30FN5O2 and a molecular weight of 415.51 g/mol. Its IUPAC name is 1-[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanoyl]piperidine-3-carboxamide
PubChem CID56571157
Molecular FormulaC22H30FN5O2
Molecular Weight415.51 g/mol
Exact Mass415.24
IUPAC Name1-[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanoyl]piperidine-3-carboxamide
SMILESCC(C(=O)N1CCCC(C(N)=O)C1)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C22H30FN5O2/c1-15(22(30)28-12-3-5-17(14-28)21(24)29)27(2)11-4-6-19-13-20(26-25-19)16-7-9-18(23)10-8-16/h7-10,13,15,17H,3-6,11-12,14H2,1-2H3,(H2,24,29)(H,25,26)
InChIKeyOASKOCVYAMFJKA-UHFFFAOYSA-N
XLogP2.19
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyloxane-4-carboxamide
CID 86998711
(3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxamide
CID 94164900
N-(benzylcarbamoyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide
CID 56539419
ethyl (3R)-1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperidine-3-carboxylate
CID 51939226
N-[2-(difluoromethoxy)phenyl]-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide
CID 56539774
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylcyclohex-2-en-1-amine
CID 56574718
2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-[(3-methoxyphenyl)methyl]propanamide
CID 56571156
[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 125135480
(3R)-1-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoyl]piperidine-3-carboxamide
CID 9406370
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
3-(cyclopropanecarbonylamino)-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylnaphthalene-2-carboxamide
CID 55866237
2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(1-phenylethyl)acetamide
CID 56539587

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanoyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanoyl]piperidine-3-carboxamide (CID 56571157) is 1-[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanoyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanoyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanoyl]piperidine-3-carboxamide is CC(C(=O)N1CCCC(C(N)=O)C1)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of 1-[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanoyl]piperidine-3-carboxamide?
The InChIKey is OASKOCVYAMFJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN5O2/c1-15(22(30)28-12-3-5-17(14-28)21(24)29)27(2)11-4-6-19-13-20(26-25-19)16-7-9-18(23)10-8-16/h7-10,13,15,17H,3-6,11-12,14H2,1-2H3,(H2,24,29)(H,25,26).
What are the key properties of 1-[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanoyl]piperidine-3-carboxamide?
1-[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanoyl]piperidine-3-carboxamide has a molecular weight of 415.51 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 56571157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).