N-(4-piperidin-1-ylbutyl)-4-pyrrol-1-ylbenzamide

C20H27N3O — CID 110440991

IUPACN-(4-piperidin-1-ylbutyl)-4-pyrrol-1-ylbenzamide
SMILESO=C(NCCCCN1CCCCC1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C20H27N3O/c24-20(21-12-2-5-15-22-13-3-1-4-14-22)18-8-10-19(11-9-18)23-16-6-7-17-23/h6-11,16-17H,1-5,12-15H2,(H,21,24)
InChIKeyJYKBHLUNVBAIAF-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.47
Rot. Bonds7

About N-(4-piperidin-1-ylbutyl)-4-pyrrol-1-ylbenzamide

N-(4-piperidin-1-ylbutyl)-4-pyrrol-1-ylbenzamide (PubChem CID 110440991) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-(4-piperidin-1-ylbutyl)-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-(4-piperidin-1-ylbutyl)-4-pyrrol-1-ylbenzamide
PubChem CID110440991
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-(4-piperidin-1-ylbutyl)-4-pyrrol-1-ylbenzamide
SMILESO=C(NCCCCN1CCCCC1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C20H27N3O/c24-20(21-12-2-5-15-22-13-3-1-4-14-22)18-8-10-19(11-9-18)23-16-6-7-17-23/h6-11,16-17H,1-5,12-15H2,(H,21,24)
InChIKeyJYKBHLUNVBAIAF-UHFFFAOYSA-N
XLogP3.47
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide
CID 11630984
4-(dimethylamino)-N-(4-piperidin-1-ylbutyl)benzamide
CID 110444431
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-4-pyrrol-1-ylbenzamide
CID 46447895
4-pyrrol-1-yl-N-(2-pyrrol-1-ylethyl)benzamide
CID 110742702
4-cyano-N-(3-piperidin-1-ylpropyl)benzamide
CID 11608750
4-(1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylethyl)benzamide
CID 168519610
N-propyl-4-pyrrol-1-ylbenzamide
CID 24536436
4-(diethylamino)-N-(3-piperidin-1-ylpropyl)benzamide
CID 11638289
N-(2-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide
CID 110301675
4-(piperidin-1-ylsulfonylmethyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 28566921
4-phenyl-N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]benzamide
CID 108538421
N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 108542296

Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylbutyl)-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-(4-piperidin-1-ylbutyl)-4-pyrrol-1-ylbenzamide (CID 110440991) is N-(4-piperidin-1-ylbutyl)-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-(4-piperidin-1-ylbutyl)-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-(4-piperidin-1-ylbutyl)-4-pyrrol-1-ylbenzamide is O=C(NCCCCN1CCCCC1)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-(4-piperidin-1-ylbutyl)-4-pyrrol-1-ylbenzamide?
The InChIKey is JYKBHLUNVBAIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c24-20(21-12-2-5-15-22-13-3-1-4-14-22)18-8-10-19(11-9-18)23-16-6-7-17-23/h6-11,16-17H,1-5,12-15H2,(H,21,24).
What are the key properties of N-(4-piperidin-1-ylbutyl)-4-pyrrol-1-ylbenzamide?
N-(4-piperidin-1-ylbutyl)-4-pyrrol-1-ylbenzamide has a molecular weight of 325.46 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylbutyl)-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 110440991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).