N-phenyl-4-[(4-pyrrol-1-ylbenzoyl)amino]piperidine-1-carboxamide

C23H24N4O2 — CID 25409335

IUPACN-phenyl-4-[(4-pyrrol-1-ylbenzoyl)amino]piperidine-1-carboxamide
SMILESO=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C23H24N4O2/c28-22(18-8-10-21(11-9-18)26-14-4-5-15-26)24-20-12-16-27(17-13-20)23(29)25-19-6-2-1-3-7-19/h1-11,14-15,20H,12-13,16-17H2,(H,24,28)(H,25,29)
InChIKeySHDYYVRZEOVQJT-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.90
Rot. Bonds4

About N-phenyl-4-[(4-pyrrol-1-ylbenzoyl)amino]piperidine-1-carboxamide

N-phenyl-4-[(4-pyrrol-1-ylbenzoyl)amino]piperidine-1-carboxamide (PubChem CID 25409335) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-phenyl-4-[(4-pyrrol-1-ylbenzoyl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-4-[(4-pyrrol-1-ylbenzoyl)amino]piperidine-1-carboxamide
PubChem CID25409335
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-phenyl-4-[(4-pyrrol-1-ylbenzoyl)amino]piperidine-1-carboxamide
SMILESO=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C23H24N4O2/c28-22(18-8-10-21(11-9-18)26-14-4-5-15-26)24-20-12-16-27(17-13-20)23(29)25-19-6-2-1-3-7-19/h1-11,14-15,20H,12-13,16-17H2,(H,24,28)(H,25,29)
InChIKeySHDYYVRZEOVQJT-UHFFFAOYSA-N
XLogP3.90
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-benzamidopiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 33308938
N-phenyl-4-[[4-(phenylsulfamoyl)benzoyl]amino]piperidine-1-carboxamide
CID 46537325
N-(1-benzylpiperidin-4-yl)-4-pyrrol-1-ylbenzamide
CID 25333072
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
CID 108554779
N-phenyl-4-[(4-prop-2-enoxybenzoyl)amino]piperidine-1-carboxamide
CID 46588527
4-benzamido-N-(3-methylphenyl)piperidine-1-carboxamide
CID 43814049
4-[(3-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 44754288
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
CID 108554822
N-[1-(2-methoxyacetyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
CID 108554843
4-[(2-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 51324372
N-[1-(4-chlorobutanoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
CID 108561651
N-[4-(cyclopentylcarbamoyl)phenyl]pyrrolidine-1-carboxamide
CID 51085603

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[(4-pyrrol-1-ylbenzoyl)amino]piperidine-1-carboxamide?
The IUPAC name of N-phenyl-4-[(4-pyrrol-1-ylbenzoyl)amino]piperidine-1-carboxamide (CID 25409335) is N-phenyl-4-[(4-pyrrol-1-ylbenzoyl)amino]piperidine-1-carboxamide.
What is the SMILES notation for N-phenyl-4-[(4-pyrrol-1-ylbenzoyl)amino]piperidine-1-carboxamide?
The canonical SMILES for N-phenyl-4-[(4-pyrrol-1-ylbenzoyl)amino]piperidine-1-carboxamide is O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-phenyl-4-[(4-pyrrol-1-ylbenzoyl)amino]piperidine-1-carboxamide?
The InChIKey is SHDYYVRZEOVQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-22(18-8-10-21(11-9-18)26-14-4-5-15-26)24-20-12-16-27(17-13-20)23(29)25-19-6-2-1-3-7-19/h1-11,14-15,20H,12-13,16-17H2,(H,24,28)(H,25,29).
What are the key properties of N-phenyl-4-[(4-pyrrol-1-ylbenzoyl)amino]piperidine-1-carboxamide?
N-phenyl-4-[(4-pyrrol-1-ylbenzoyl)amino]piperidine-1-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[(4-pyrrol-1-ylbenzoyl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 25409335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).