N-[1-(4-chlorobutanoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide

C20H24ClN3O2 — CID 108561651

IUPACN-[1-(4-chlorobutanoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
SMILESO=C(NC1CCN(C(=O)CCCCl)CC1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C20H24ClN3O2/c21-11-3-4-19(25)24-14-9-17(10-15-24)22-20(26)16-5-7-18(8-6-16)23-12-1-2-13-23/h1-2,5-8,12-13,17H,3-4,9-11,14-15H2,(H,22,26)
InChIKeyDZPUKPLSYGODLB-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.22
Rot. Bonds6

About N-[1-(4-chlorobutanoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide

N-[1-(4-chlorobutanoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide (PubChem CID 108561651) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is N-[1-(4-chlorobutanoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[1-(4-chlorobutanoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
PubChem CID108561651
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC NameN-[1-(4-chlorobutanoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
SMILESO=C(NC1CCN(C(=O)CCCCl)CC1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C20H24ClN3O2/c21-11-3-4-19(25)24-14-9-17(10-15-24)22-20(26)16-5-7-18(8-6-16)23-12-1-2-13-23/h1-2,5-8,12-13,17H,3-4,9-11,14-15H2,(H,22,26)
InChIKeyDZPUKPLSYGODLB-UHFFFAOYSA-N
XLogP3.22
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
tert-butyl N-[3-oxo-3-[4-[(4-pyrrol-1-ylbenzoyl)amino]piperidin-1-yl]propyl]carbamate
CID 108554769
N-[1-(4-chlorobutanoyl)piperidin-4-yl]-3-fluorobenzamide
CID 108562648
N-[1-(4-chlorobutanoyl)piperidin-4-yl]-2-hydroxybenzamide
CID 108560135
N-(1-benzylpiperidin-4-yl)-4-pyrrol-1-ylbenzamide
CID 25333072
N-phenyl-4-[(4-pyrrol-1-ylbenzoyl)amino]piperidine-1-carboxamide
CID 25409335
N-[4-(4-benzamidopiperidin-1-yl)-4-oxobutyl]benzamide
CID 34423868
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
CID 108554779
2-chloro-N-[1-(4-chlorobutanoyl)piperidin-4-yl]-6-fluorobenzamide
CID 108563078
N-[1-(2-chloroacetyl)piperidin-4-yl]-4-methylbenzamide
CID 108559266
4-oxo-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pentanamide
CID 108558077

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorobutanoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[1-(4-chlorobutanoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide (CID 108561651) is N-[1-(4-chlorobutanoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[1-(4-chlorobutanoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[1-(4-chlorobutanoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide is O=C(NC1CCN(C(=O)CCCCl)CC1)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-[1-(4-chlorobutanoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide?
The InChIKey is DZPUKPLSYGODLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c21-11-3-4-19(25)24-14-9-17(10-15-24)22-20(26)16-5-7-18(8-6-16)23-12-1-2-13-23/h1-2,5-8,12-13,17H,3-4,9-11,14-15H2,(H,22,26).
What are the key properties of N-[1-(4-chlorobutanoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide?
N-[1-(4-chlorobutanoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide has a molecular weight of 373.88 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorobutanoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 108561651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).