N-[1-(3-phenoxypropanoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide

C25H27N3O3 — CID 108554822

IUPACN-[1-(3-phenoxypropanoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
SMILESO=C(NC1CCN(C(=O)CCOc2ccccc2)CC1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C25H27N3O3/c29-24(14-19-31-23-6-2-1-3-7-23)28-17-12-21(13-18-28)26-25(30)20-8-10-22(11-9-20)27-15-4-5-16-27/h1-11,15-16,21H,12-14,17-19H2,(H,26,30)
InChIKeyPLCCSBBQJOTQOU-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.67
Rot. Bonds7

About N-[1-(3-phenoxypropanoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide

N-[1-(3-phenoxypropanoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide (PubChem CID 108554822) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[1-(3-phenoxypropanoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[1-(3-phenoxypropanoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
PubChem CID108554822
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC NameN-[1-(3-phenoxypropanoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
SMILESO=C(NC1CCN(C(=O)CCOc2ccccc2)CC1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C25H27N3O3/c29-24(14-19-31-23-6-2-1-3-7-23)28-17-12-21(13-18-28)26-25(30)20-8-10-22(11-9-20)27-15-4-5-16-27/h1-11,15-16,21H,12-14,17-19H2,(H,26,30)
InChIKeyPLCCSBBQJOTQOU-UHFFFAOYSA-N
XLogP3.67
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549132
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558573
N-[1-(4-chlorobutanoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
CID 108561651
N-[1-(2-methoxyacetyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
CID 108554843
2-phenoxy-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108555833
tert-butyl N-[3-oxo-3-[4-[(4-pyrrol-1-ylbenzoyl)amino]piperidin-1-yl]propyl]carbamate
CID 108554769
2-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 39512486
2-fluoro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549375
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]-2,2-diphenylacetamide
CID 108549605
2-cyano-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108548392
2-methoxy-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549234
N-phenyl-4-[(4-pyrrol-1-ylbenzoyl)amino]piperidine-1-carboxamide
CID 25409335

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-phenoxypropanoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[1-(3-phenoxypropanoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide (CID 108554822) is N-[1-(3-phenoxypropanoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[1-(3-phenoxypropanoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[1-(3-phenoxypropanoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide is O=C(NC1CCN(C(=O)CCOc2ccccc2)CC1)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-[1-(3-phenoxypropanoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide?
The InChIKey is PLCCSBBQJOTQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c29-24(14-19-31-23-6-2-1-3-7-23)28-17-12-21(13-18-28)26-25(30)20-8-10-22(11-9-20)27-15-4-5-16-27/h1-11,15-16,21H,12-14,17-19H2,(H,26,30).
What are the key properties of N-[1-(3-phenoxypropanoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide?
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide has a molecular weight of 417.51 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-phenoxypropanoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 108554822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).