4-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylbenzamide

C20H25N5O2 — CID 166792144

IUPAC4-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylbenzamide
SMILESNC(=O)c1ccc(N2CCN(C(=O)c3ccc[nH]3)CC2)cc1N1CCCC1
InChIInChI=1S/C20H25N5O2/c21-19(26)16-6-5-15(14-18(16)24-8-1-2-9-24)23-10-12-25(13-11-23)20(27)17-4-3-7-22-17/h3-7,14,22H,1-2,8-13H2,(H2,21,26)
InChIKeyBHKPSXUQXHSNLE-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.68
Rot. Bonds4

About 4-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylbenzamide

4-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylbenzamide (PubChem CID 166792144) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name4-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylbenzamide
PubChem CID166792144
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name4-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylbenzamide
SMILESNC(=O)c1ccc(N2CCN(C(=O)c3ccc[nH]3)CC2)cc1N1CCCC1
InChIInChI=1S/C20H25N5O2/c21-19(26)16-6-5-15(14-18(16)24-8-1-2-9-24)23-10-12-25(13-11-23)20(27)17-4-3-7-22-17/h3-7,14,22H,1-2,8-13H2,(H2,21,26)
InChIKeyBHKPSXUQXHSNLE-UHFFFAOYSA-N
XLogP1.68
TPSA85.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-phenylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone
CID 51210665
[4-(4-methoxyphenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 51211150
4-chloro-2-pyrrolidin-1-ylbenzamide
CID 175755085
[4-(2-hydroxy-5-pyrrolidin-1-ylphenyl)piperazin-1-yl]-phenylmethanone
CID 130451414
(2,4-dichlorophenyl)-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110809203
4-(1H-pyrrole-2-carbonyl)piperazine-1-sulfonamide
CID 61128995
1H-pyrrol-2-yl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone
CID 110815571
(2,3-dichlorophenyl)-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone
CID 86996550
2-amino-5-(azepan-1-yl)benzamide
CID 61313055
1H-pyrrol-2-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 110801970
4-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]-3-(2,2,2-trifluoroethyl)benzoic acid
CID 174375758
3-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 126896027

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 4-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylbenzamide (CID 166792144) is 4-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 4-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 4-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylbenzamide is NC(=O)c1ccc(N2CCN(C(=O)c3ccc[nH]3)CC2)cc1N1CCCC1.
What is the InChIKey of 4-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylbenzamide?
The InChIKey is BHKPSXUQXHSNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c21-19(26)16-6-5-15(14-18(16)24-8-1-2-9-24)23-10-12-25(13-11-23)20(27)17-4-3-7-22-17/h3-7,14,22H,1-2,8-13H2,(H2,21,26).
What are the key properties of 4-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylbenzamide?
4-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylbenzamide has a molecular weight of 367.45 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 166792144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).