N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide

C27H31FN4O3 — CID 55885634

IUPACN-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
SMILESCc1c(C(C)NC(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C27H31FN4O3/c1-19(25-18-29-32(20(25)2)23-10-8-22(28)9-11-23)30-27(34)21-12-15-31(16-13-21)26(33)14-17-35-24-6-4-3-5-7-24/h3-11,18-19,21H,12-17H2,1-2H3,(H,30,34)
InChIKeyCHGUJUZWMXPPPT-UHFFFAOYSA-N
MW478.57 g/mol
LogP4.20
Rot. Bonds8

About N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide

N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide (PubChem CID 55885634) has the molecular formula C27H31FN4O3 and a molecular weight of 478.57 g/mol. Its IUPAC name is N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
PubChem CID55885634
Molecular FormulaC27H31FN4O3
Molecular Weight478.57 g/mol
Exact Mass478.24
IUPAC NameN-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
SMILESCc1c(C(C)NC(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C27H31FN4O3/c1-19(25-18-29-32(20(25)2)23-10-8-22(28)9-11-23)30-27(34)21-12-15-31(16-13-21)26(33)14-17-35-24-6-4-3-5-7-24/h3-11,18-19,21H,12-17H2,1-2H3,(H,30,34)
InChIKeyCHGUJUZWMXPPPT-UHFFFAOYSA-N
XLogP4.20
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-3-methylbutan-2-yl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 94521670
N-[cyano-(2-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 56572052
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119292381
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 78904763
N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55912812
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55885131
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide
CID 56580288
N-[2-[[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 94806257
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55875019
3-amino-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119729016
N-(2-amino-1-cyclopropylethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide;hydrochloride
CID 119617668
(E)-2-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]hex-4-enoic acid
CID 120693343

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide (CID 55885634) is N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide is Cc1c(C(C)NC(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)cnn1-c1ccc(F)cc1.
What is the InChIKey of N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The InChIKey is CHGUJUZWMXPPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN4O3/c1-19(25-18-29-32(20(25)2)23-10-8-22(28)9-11-23)30-27(34)21-12-15-31(16-13-21)26(33)14-17-35-24-6-4-3-5-7-24/h3-11,18-19,21H,12-17H2,1-2H3,(H,30,34).
What are the key properties of N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide has a molecular weight of 478.57 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 55885634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).