N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide

C21H28N4O2 — CID 127042300

IUPACN-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide
SMILESCCOc1ccccc1N1CCN(CCCNC(=O)c2ccncc2)CC1
InChIInChI=1S/C21H28N4O2/c1-2-27-20-7-4-3-6-19(20)25-16-14-24(15-17-25)13-5-10-23-21(26)18-8-11-22-12-9-18/h3-4,6-9,11-12H,2,5,10,13-17H2,1H3,(H,23,26)
InChIKeyWQYZLMWFSUJAHL-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.42
Rot. Bonds8

About N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide

N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide (PubChem CID 127042300) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide
PubChem CID127042300
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide
SMILESCCOc1ccccc1N1CCN(CCCNC(=O)c2ccncc2)CC1
InChIInChI=1S/C21H28N4O2/c1-2-27-20-7-4-3-6-19(20)25-16-14-24(15-17-25)13-5-10-23-21(26)18-8-11-22-12-9-18/h3-4,6-9,11-12H,2,5,10,13-17H2,1H3,(H,23,26)
InChIKeyWQYZLMWFSUJAHL-UHFFFAOYSA-N
XLogP2.42
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.42
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

N-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide
CID 127042302
2-ethoxy-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]benzamide
CID 42224182
3,4,5-triethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224516
2-ethoxy-N-[3-[4-[3-[(2-ethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 2932757
4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoic acid
CID 119134368
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 141363458
4-tert-butyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 10971923
N-[3-(4-benzylpiperazin-1-yl)propyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 46410731
N-[4-[4-[2-(thiophen-2-ylmethoxy)phenyl]piperazin-1-yl]butyl]pyridine-3-carboxamide
CID 139793526
2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 13318490
N-[4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-4-imidazol-1-ylbenzamide
CID 42609932
3,4-dichloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 15050919

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide (CID 127042300) is N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide is CCOc1ccccc1N1CCN(CCCNC(=O)c2ccncc2)CC1.
What is the InChIKey of N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide?
The InChIKey is WQYZLMWFSUJAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-2-27-20-7-4-3-6-19(20)25-16-14-24(15-17-25)13-5-10-23-21(26)18-8-11-22-12-9-18/h3-4,6-9,11-12H,2,5,10,13-17H2,1H3,(H,23,26).
What are the key properties of N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide?
N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide is sourced from PubChem (CID 127042300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).