N-[(4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide

C23H25FN4O2 — CID 71839632

IUPACN-[(4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
SMILESCOc1cccc(-c2cc(C3CCN(C(=O)NCc4ccc(F)cc4)CC3)[nH]n2)c1
InChIInChI=1S/C23H25FN4O2/c1-30-20-4-2-3-18(13-20)22-14-21(26-27-22)17-9-11-28(12-10-17)23(29)25-15-16-5-7-19(24)8-6-16/h2-8,13-14,17H,9-12,15H2,1H3,(H,25,29)(H,26,27)
InChIKeyGQQSSFHCBVLZAP-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.31
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide

N-[(4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide (PubChem CID 71839632) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
PubChem CID71839632
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC NameN-[(4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
SMILESCOc1cccc(-c2cc(C3CCN(C(=O)NCc4ccc(F)cc4)CC3)[nH]n2)c1
InChIInChI=1S/C23H25FN4O2/c1-30-20-4-2-3-18(13-20)22-14-21(26-27-22)17-9-11-28(12-10-17)23(29)25-15-16-5-7-19(24)8-6-16/h2-8,13-14,17H,9-12,15H2,1H3,(H,25,29)(H,26,27)
InChIKeyGQQSSFHCBVLZAP-UHFFFAOYSA-N
XLogP4.31
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide (CID 71839632) is N-[(4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide is COc1cccc(-c2cc(C3CCN(C(=O)NCc4ccc(F)cc4)CC3)[nH]n2)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
The InChIKey is GQQSSFHCBVLZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-30-20-4-2-3-18(13-20)22-14-21(26-27-22)17-9-11-28(12-10-17)23(29)25-15-16-5-7-19(24)8-6-16/h2-8,13-14,17H,9-12,15H2,1H3,(H,25,29)(H,26,27).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
N-[(4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 71839632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).