N-(4-piperazin-1-ylphenyl)pyrrolidine-1-carboxamide

C15H22N4O — CID 79160722

IUPACN-(4-piperazin-1-ylphenyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(N2CCNCC2)cc1)N1CCCC1
InChIInChI=1S/C15H22N4O/c20-15(19-9-1-2-10-19)17-13-3-5-14(6-4-13)18-11-7-16-8-12-18/h3-6,16H,1-2,7-12H2,(H,17,20)
InChIKeyDHTDTBFMCCZWBK-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.72
Rot. Bonds2

About N-(4-piperazin-1-ylphenyl)pyrrolidine-1-carboxamide

N-(4-piperazin-1-ylphenyl)pyrrolidine-1-carboxamide (PubChem CID 79160722) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-(4-piperazin-1-ylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-piperazin-1-ylphenyl)pyrrolidine-1-carboxamide
PubChem CID79160722
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-(4-piperazin-1-ylphenyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(N2CCNCC2)cc1)N1CCCC1
InChIInChI=1S/C15H22N4O/c20-15(19-9-1-2-10-19)17-13-3-5-14(6-4-13)18-11-7-16-8-12-18/h3-6,16H,1-2,7-12H2,(H,17,20)
InChIKeyDHTDTBFMCCZWBK-UHFFFAOYSA-N
XLogP1.72
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-pyrrolidin-1-ylphenyl)azepane-1-carboxamide
CID 108991070
N-[4-(4-methylpiperazin-1-yl)phenyl]azepane-1-carboxamide
CID 108991074
N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 108987878
N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide
CID 108987931
N-phenyl-1,4-diazepane-1-carboxamide;hydrochloride
CID 42886604
4-tert-butyl-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
CID 113110355
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
N-(4-iodophenyl)piperazine-1-carboxamide;hydrochloride
CID 165429741
N-(4-methoxyphenyl)-1,6-diazacycloundecane-1-carboxamide
CID 144843106
N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide
CID 16771863
4-(pyrrolidine-1-carbonylamino)benzoic acid
CID 39732858
2-bromo-N-(4-piperazin-1-ylphenyl)propanamide
CID 57161707

Frequently Asked Questions

What is the IUPAC name of N-(4-piperazin-1-ylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(4-piperazin-1-ylphenyl)pyrrolidine-1-carboxamide (CID 79160722) is N-(4-piperazin-1-ylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-piperazin-1-ylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-piperazin-1-ylphenyl)pyrrolidine-1-carboxamide is O=C(Nc1ccc(N2CCNCC2)cc1)N1CCCC1.
What is the InChIKey of N-(4-piperazin-1-ylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is DHTDTBFMCCZWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c20-15(19-9-1-2-10-19)17-13-3-5-14(6-4-13)18-11-7-16-8-12-18/h3-6,16H,1-2,7-12H2,(H,17,20).
What are the key properties of N-(4-piperazin-1-ylphenyl)pyrrolidine-1-carboxamide?
N-(4-piperazin-1-ylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperazin-1-ylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 79160722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).