N-[5-(benzylcarbamoyl)-1H-pyrazol-3-yl]-4-phenoxypiperidine-1-carboxamide

C23H25N5O3 — CID 145485958

IUPACN-[5-(benzylcarbamoyl)-1H-pyrazol-3-yl]-4-phenoxypiperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(NC(=O)N2CCC(Oc3ccccc3)CC2)n[nH]1
InChIInChI=1S/C23H25N5O3/c29-22(24-16-17-7-3-1-4-8-17)20-15-21(27-26-20)25-23(30)28-13-11-19(12-14-28)31-18-9-5-2-6-10-18/h1-10,15,19H,11-14,16H2,(H,24,29)(H2,25,26,27,30)
InChIKeyWQHCPDVWJJZJIJ-UHFFFAOYSA-N
MW419.49 g/mol
LogP3.41
Rot. Bonds6

About N-[5-(benzylcarbamoyl)-1H-pyrazol-3-yl]-4-phenoxypiperidine-1-carboxamide

N-[5-(benzylcarbamoyl)-1H-pyrazol-3-yl]-4-phenoxypiperidine-1-carboxamide (PubChem CID 145485958) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-[5-(benzylcarbamoyl)-1H-pyrazol-3-yl]-4-phenoxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[5-(benzylcarbamoyl)-1H-pyrazol-3-yl]-4-phenoxypiperidine-1-carboxamide
PubChem CID145485958
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC NameN-[5-(benzylcarbamoyl)-1H-pyrazol-3-yl]-4-phenoxypiperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(NC(=O)N2CCC(Oc3ccccc3)CC2)n[nH]1
InChIInChI=1S/C23H25N5O3/c29-22(24-16-17-7-3-1-4-8-17)20-15-21(27-26-20)25-23(30)28-13-11-19(12-14-28)31-18-9-5-2-6-10-18/h1-10,15,19H,11-14,16H2,(H,24,29)(H2,25,26,27,30)
InChIKeyWQHCPDVWJJZJIJ-UHFFFAOYSA-N
XLogP3.41
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-pyridin-3-yloxypiperidine-1-carboxamide
CID 90566130
N-[3-(benzylcarbamoyl)phenyl]-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
CID 145485865
N-benzyl-3-(1-but-3-enoylpiperidin-4-yl)oxybenzamide
CID 28957115
4-benzyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide
CID 108887249
2-[3-[[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]methyl]phenoxy]acetamide;hydroiodide
CID 109425843
N'-methyl-4-phenoxy-N-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 109427358
4-[[[4-(4-methylphenoxy)piperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122021103
[6-(benzylamino)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 28766355
1-[[3-(2-phenylethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122092864
N-benzyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxybenzamide
CID 42526081
2-[[4-(3-chlorophenoxy)piperidine-1-carbonyl]amino]-N-(1,3-thiazol-2-ylmethyl)pyridine-4-carboxamide
CID 145486012
1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-phenylethanone
CID 110396939

Frequently Asked Questions

What is the IUPAC name of N-[5-(benzylcarbamoyl)-1H-pyrazol-3-yl]-4-phenoxypiperidine-1-carboxamide?
The IUPAC name of N-[5-(benzylcarbamoyl)-1H-pyrazol-3-yl]-4-phenoxypiperidine-1-carboxamide (CID 145485958) is N-[5-(benzylcarbamoyl)-1H-pyrazol-3-yl]-4-phenoxypiperidine-1-carboxamide.
What is the SMILES notation for N-[5-(benzylcarbamoyl)-1H-pyrazol-3-yl]-4-phenoxypiperidine-1-carboxamide?
The canonical SMILES for N-[5-(benzylcarbamoyl)-1H-pyrazol-3-yl]-4-phenoxypiperidine-1-carboxamide is O=C(NCc1ccccc1)c1cc(NC(=O)N2CCC(Oc3ccccc3)CC2)n[nH]1.
What is the InChIKey of N-[5-(benzylcarbamoyl)-1H-pyrazol-3-yl]-4-phenoxypiperidine-1-carboxamide?
The InChIKey is WQHCPDVWJJZJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c29-22(24-16-17-7-3-1-4-8-17)20-15-21(27-26-20)25-23(30)28-13-11-19(12-14-28)31-18-9-5-2-6-10-18/h1-10,15,19H,11-14,16H2,(H,24,29)(H2,25,26,27,30).
What are the key properties of N-[5-(benzylcarbamoyl)-1H-pyrazol-3-yl]-4-phenoxypiperidine-1-carboxamide?
N-[5-(benzylcarbamoyl)-1H-pyrazol-3-yl]-4-phenoxypiperidine-1-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 3.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(benzylcarbamoyl)-1H-pyrazol-3-yl]-4-phenoxypiperidine-1-carboxamide is sourced from PubChem (CID 145485958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).