N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-pyrrole-2-carboxamide

C19H26N4O2 — CID 10405125

IUPACN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-pyrrole-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCCNC(=O)c2ccc[nH]2)CC1
InChIInChI=1S/C19H26N4O2/c1-25-18-8-3-2-7-17(18)23-14-12-22(13-15-23)11-5-10-21-19(24)16-6-4-9-20-16/h2-4,6-9,20H,5,10-15H2,1H3,(H,21,24)
InChIKeyYHPCJOOLDBROGD-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.97
Rot. Bonds7

About N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-pyrrole-2-carboxamide

N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-pyrrole-2-carboxamide (PubChem CID 10405125) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-pyrrole-2-carboxamide
PubChem CID10405125
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-pyrrole-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCCNC(=O)c2ccc[nH]2)CC1
InChIInChI=1S/C19H26N4O2/c1-25-18-8-3-2-7-17(18)23-14-12-22(13-15-23)11-5-10-21-19(24)16-6-4-9-20-16/h2-4,6-9,20H,5,10-15H2,1H3,(H,21,24)
InChIKeyYHPCJOOLDBROGD-UHFFFAOYSA-N
XLogP1.97
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-pyrrole-2-carboxamide (CID 10405125) is N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-pyrrole-2-carboxamide is COc1ccccc1N1CCN(CCCNC(=O)c2ccc[nH]2)CC1.
What is the InChIKey of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-pyrrole-2-carboxamide?
The InChIKey is YHPCJOOLDBROGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-25-18-8-3-2-7-17(18)23-14-12-22(13-15-23)11-5-10-21-19(24)16-6-4-9-20-16/h2-4,6-9,20H,5,10-15H2,1H3,(H,21,24).
What are the key properties of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-pyrrole-2-carboxamide?
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-pyrrole-2-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 10405125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).