N-(2-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide

C19H25N3O — CID 110301675

IUPACN-(2-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide
SMILESCC(CNC(=O)c1ccc(-n2cccc2)cc1)N1CCCCC1
InChIInChI=1S/C19H25N3O/c1-16(21-11-3-2-4-12-21)15-20-19(23)17-7-9-18(10-8-17)22-13-5-6-14-22/h5-10,13-14,16H,2-4,11-12,15H2,1H3,(H,20,23)
InChIKeyLUNUQLYKVJIOGY-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.08
Rot. Bonds5

About N-(2-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide

N-(2-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide (PubChem CID 110301675) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(2-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-(2-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide
PubChem CID110301675
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-(2-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide
SMILESCC(CNC(=O)c1ccc(-n2cccc2)cc1)N1CCCCC1
InChIInChI=1S/C19H25N3O/c1-16(21-11-3-2-4-12-21)15-20-19(23)17-7-9-18(10-8-17)22-13-5-6-14-22/h5-10,13-14,16H,2-4,11-12,15H2,1H3,(H,20,23)
InChIKeyLUNUQLYKVJIOGY-UHFFFAOYSA-N
XLogP3.08
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

4-phenyl-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide
CID 93157618
4-phenyl-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 93157619
4-chloro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47187389
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrol-1-ylbenzamide
CID 110302906
4-(3-hydroxy-3-methylbutyl)-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 95860893
4-cyano-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47026894
4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-piperidin-1-ylpropyl)benzamide
CID 110620588
3-phenyl-N-(2-piperidin-1-ylpropyl)benzamide
CID 112502353
4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 110301572
N-(4-piperidin-1-ylbutyl)-4-pyrrol-1-ylbenzamide
CID 110440991
N-[(2S)-2-pyrrolidin-1-ylpropyl]pyridine-3-carboxamide
CID 93157610
N-(3-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide
CID 11630984

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-(2-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide (CID 110301675) is N-(2-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-(2-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-(2-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide is CC(CNC(=O)c1ccc(-n2cccc2)cc1)N1CCCCC1.
What is the InChIKey of N-(2-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide?
The InChIKey is LUNUQLYKVJIOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-16(21-11-3-2-4-12-21)15-20-19(23)17-7-9-18(10-8-17)22-13-5-6-14-22/h5-10,13-14,16H,2-4,11-12,15H2,1H3,(H,20,23).
What are the key properties of N-(2-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide?
N-(2-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide has a molecular weight of 311.43 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 110301675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).