N-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-3,4-dihydro-2H-pyrrol-5-amine

C23H30N4O — CID 3070138

IUPACN-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESc1ccc(N2CCN(CCCOc3ccc(NC4=NCCC4)cc3)CC2)cc1
InChIInChI=1S/C23H30N4O/c1-2-6-21(7-3-1)27-17-15-26(16-18-27)14-5-19-28-22-11-9-20(10-12-22)25-23-8-4-13-24-23/h1-3,6-7,9-12H,4-5,8,13-19H2,(H,24,25)
InChIKeyLZNVYOWOUIUAPN-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.88
Rot. Bonds7

About N-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-3,4-dihydro-2H-pyrrol-5-amine

N-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 3070138) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID3070138
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC NameN-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESc1ccc(N2CCN(CCCOc3ccc(NC4=NCCC4)cc3)CC2)cc1
InChIInChI=1S/C23H30N4O/c1-2-6-21(7-3-1)27-17-15-26(16-18-27)14-5-19-28-22-11-9-20(10-12-22)25-23-8-4-13-24-23/h1-3,6-7,9-12H,4-5,8,13-19H2,(H,24,25)
InChIKeyLZNVYOWOUIUAPN-UHFFFAOYSA-N
XLogP3.88
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-phenoxypropyl)-4-phenylpiperazine;hydrochloride
CID 53329616
1-[5-(2,3-dihydro-1H-inden-5-yloxy)pentyl]-4-phenylpiperazine;hydrochloride
CID 45260941
1-phenyl-4-[2-(4-phenylphenoxy)ethyl]piperazine
CID 94036722
1-[3-(4-benzylphenoxy)propyl]-4-pyridin-4-ylpiperazine
CID 162666847
N-[3-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-2H-1,4-benzoxazin-3-amine;tetrahydrochloride
CID 23623033
N-(4-propoxyphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 79507627
4-[2-(4-phenylpiperazin-1-yl)ethoxy]aniline
CID 15573951
N-methyl-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanamine
CID 19018032
1-[3-(3-methoxyphenoxy)propyl]-4-phenylpiperazine
CID 3050368
2-methylsulfanyl-3-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]pyrimidin-4-one
CID 3088779
1-[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]ethanone
CID 39201900
N-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-4,5-dihydro-1H-imidazol-2-amine;pentahydrochloride
CID 3070152

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-3,4-dihydro-2H-pyrrol-5-amine (CID 3070138) is N-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-3,4-dihydro-2H-pyrrol-5-amine is c1ccc(N2CCN(CCCOc3ccc(NC4=NCCC4)cc3)CC2)cc1.
What is the InChIKey of N-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is LZNVYOWOUIUAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-2-6-21(7-3-1)27-17-15-26(16-18-27)14-5-19-28-22-11-9-20(10-12-22)25-23-8-4-13-24-23/h1-3,6-7,9-12H,4-5,8,13-19H2,(H,24,25).
What are the key properties of N-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-3,4-dihydro-2H-pyrrol-5-amine?
N-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 378.52 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 3070138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).