N-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-2-fluorobenzamide

C29H27FN4O2 — CID 2882576

IUPACN-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-2-fluorobenzamide
SMILESO=C(Nc1c(C(=O)N2CCC(Cc3ccccc3)CC2)cnn1-c1ccccc1)c1ccccc1F
InChIInChI=1S/C29H27FN4O2/c30-26-14-8-7-13-24(26)28(35)32-27-25(20-31-34(27)23-11-5-2-6-12-23)29(36)33-17-15-22(16-18-33)19-21-9-3-1-4-10-21/h1-14,20,22H,15-19H2,(H,32,35)
InChIKeyYDPQGSYECNPGFA-UHFFFAOYSA-N
MW482.56 g/mol
LogP5.36
Rot. Bonds6

About N-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-2-fluorobenzamide

N-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-2-fluorobenzamide (PubChem CID 2882576) has the molecular formula C29H27FN4O2 and a molecular weight of 482.56 g/mol. Its IUPAC name is N-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-2-fluorobenzamide
PubChem CID2882576
Molecular FormulaC29H27FN4O2
Molecular Weight482.56 g/mol
Exact Mass482.21
IUPAC NameN-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-2-fluorobenzamide
SMILESO=C(Nc1c(C(=O)N2CCC(Cc3ccccc3)CC2)cnn1-c1ccccc1)c1ccccc1F
InChIInChI=1S/C29H27FN4O2/c30-26-14-8-7-13-24(26)28(35)32-27-25(20-31-34(27)23-11-5-2-6-12-23)29(36)33-17-15-22(16-18-33)19-21-9-3-1-4-10-21/h1-14,20,22H,15-19H2,(H,32,35)
InChIKeyYDPQGSYECNPGFA-UHFFFAOYSA-N
XLogP5.36
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.56
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-2-fluorobenzamide?
The IUPAC name of N-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-2-fluorobenzamide (CID 2882576) is N-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-2-fluorobenzamide?
The canonical SMILES for N-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-2-fluorobenzamide is O=C(Nc1c(C(=O)N2CCC(Cc3ccccc3)CC2)cnn1-c1ccccc1)c1ccccc1F.
What is the InChIKey of N-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-2-fluorobenzamide?
The InChIKey is YDPQGSYECNPGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN4O2/c30-26-14-8-7-13-24(26)28(35)32-27-25(20-31-34(27)23-11-5-2-6-12-23)29(36)33-17-15-22(16-18-33)19-21-9-3-1-4-10-21/h1-14,20,22H,15-19H2,(H,32,35).
What are the key properties of N-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-2-fluorobenzamide?
N-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-2-fluorobenzamide has a molecular weight of 482.56 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-2-fluorobenzamide is sourced from PubChem (CID 2882576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).