N-(3-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide

C19H25N3O — CID 11630984

IUPACN-(3-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide
SMILESO=C(NCCCN1CCCCC1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C19H25N3O/c23-19(20-11-6-14-21-12-2-1-3-13-21)17-7-9-18(10-8-17)22-15-4-5-16-22/h4-5,7-10,15-16H,1-3,6,11-14H2,(H,20,23)
InChIKeyKPRKHQYTRQZUBX-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.08
Rot. Bonds6

About N-(3-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide

N-(3-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide (PubChem CID 11630984) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(3-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-(3-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide
PubChem CID11630984
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-(3-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide
SMILESO=C(NCCCN1CCCCC1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C19H25N3O/c23-19(20-11-6-14-21-12-2-1-3-13-21)17-7-9-18(10-8-17)22-15-4-5-16-22/h4-5,7-10,15-16H,1-3,6,11-14H2,(H,20,23)
InChIKeyKPRKHQYTRQZUBX-UHFFFAOYSA-N
XLogP3.08
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.08
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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Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-(3-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide (CID 11630984) is N-(3-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-(3-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-(3-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide is O=C(NCCCN1CCCCC1)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-(3-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide?
The InChIKey is KPRKHQYTRQZUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c23-19(20-11-6-14-21-12-2-1-3-13-21)17-7-9-18(10-8-17)22-15-4-5-16-22/h4-5,7-10,15-16H,1-3,6,11-14H2,(H,20,23).
What are the key properties of N-(3-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide?
N-(3-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide has a molecular weight of 311.43 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 11630984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).