N-(1-benzylpiperidin-4-yl)-4-pyrrol-1-ylbenzamide

C23H25N3O — CID 25333072

IUPACN-(1-benzylpiperidin-4-yl)-4-pyrrol-1-ylbenzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C23H25N3O/c27-23(20-8-10-22(11-9-20)26-14-4-5-15-26)24-21-12-16-25(17-13-21)18-19-6-2-1-3-7-19/h1-11,14-15,21H,12-13,16-18H2,(H,24,27)
InChIKeySQDJOTMQEOAUNA-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.87
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-4-pyrrol-1-ylbenzamide

N-(1-benzylpiperidin-4-yl)-4-pyrrol-1-ylbenzamide (PubChem CID 25333072) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-pyrrol-1-ylbenzamide
PubChem CID25333072
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-pyrrol-1-ylbenzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C23H25N3O/c27-23(20-8-10-22(11-9-20)26-14-4-5-15-26)24-21-12-16-25(17-13-21)18-19-6-2-1-3-7-19/h1-11,14-15,21H,12-13,16-18H2,(H,24,27)
InChIKeySQDJOTMQEOAUNA-UHFFFAOYSA-N
XLogP3.87
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide
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N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
N-(1-benzylpiperidin-4-yl)-4-[(2-chloroacetyl)amino]benzamide
CID 3044759
N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide
CID 17176526
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
N-(1-benzylpiperidin-4-yl)-4-(cyclopropanecarbonylamino)benzamide
CID 27673222
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
methyl 2-[4-[[4-(4-benzylpiperazin-1-yl)benzoyl]amino]piperidin-1-yl]acetate
CID 54229944
N-(1-benzylpiperidin-4-yl)-4-(2-methoxyethoxy)benzamide
CID 17176539
N-phenyl-4-[(4-pyrrol-1-ylbenzoyl)amino]piperidine-1-carboxamide
CID 25409335

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-pyrrol-1-ylbenzamide (CID 25333072) is N-(1-benzylpiperidin-4-yl)-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-pyrrol-1-ylbenzamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-pyrrol-1-ylbenzamide?
The InChIKey is SQDJOTMQEOAUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c27-23(20-8-10-22(11-9-20)26-14-4-5-15-26)24-21-12-16-25(17-13-21)18-19-6-2-1-3-7-19/h1-11,14-15,21H,12-13,16-18H2,(H,24,27).
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-pyrrol-1-ylbenzamide?
N-(1-benzylpiperidin-4-yl)-4-pyrrol-1-ylbenzamide has a molecular weight of 359.47 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 25333072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).