ethyl 3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]phenoxy]propanoate

C21H32N4O4 — CID 57309222

IUPACethyl 3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]phenoxy]propanoate
SMILESCCOC(=O)CCOc1ccc(NC(=O)N2CCN(C3CCNCC3)CC2)cc1
InChIInChI=1S/C21H32N4O4/c1-2-28-20(26)9-16-29-19-5-3-17(4-6-19)23-21(27)25-14-12-24(13-15-25)18-7-10-22-11-8-18/h3-6,18,22H,2,7-16H2,1H3,(H,23,27)
InChIKeyUIUVQUQXBRDLJE-UHFFFAOYSA-N
MW404.51 g/mol
LogP1.92
Rot. Bonds7

About ethyl 3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]phenoxy]propanoate

ethyl 3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]phenoxy]propanoate (PubChem CID 57309222) has the molecular formula C21H32N4O4 and a molecular weight of 404.51 g/mol. Its IUPAC name is ethyl 3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]phenoxy]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]phenoxy]propanoate
PubChem CID57309222
Molecular FormulaC21H32N4O4
Molecular Weight404.51 g/mol
Exact Mass404.24
IUPAC Nameethyl 3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]phenoxy]propanoate
SMILESCCOC(=O)CCOc1ccc(NC(=O)N2CCN(C3CCNCC3)CC2)cc1
InChIInChI=1S/C21H32N4O4/c1-2-28-20(26)9-16-29-19-5-3-17(4-6-19)23-21(27)25-14-12-24(13-15-25)18-7-10-22-11-8-18/h3-6,18,22H,2,7-16H2,1H3,(H,23,27)
InChIKeyUIUVQUQXBRDLJE-UHFFFAOYSA-N
XLogP1.92
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]phenoxy]propanoate with MolForge

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Related Compounds

methyl 2-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]anilino]acetate
CID 67762871
N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 82087160
4-cyclopropyl-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 47455403
2-cyclopentyl-2-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]phenoxy]acetic acid
CID 139782807
4-cyclopropyl-N-(4-methylphenyl)piperazine-1-carboxamide
CID 47455397
N-[4-(2-aminoethoxy)phenyl]-4-methylpiperidine-1-carboxamide
CID 79160192
N-(4-acetamidophenyl)-4-cyclopropylpiperazine-1-carboxamide
CID 113103473
N-(4-butoxyphenyl)piperidine-1-carboxamide
CID 3042761
N-(4-pyridin-3-yloxyphenyl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide
CID 74251036
ethyl 3-[4-[(E)-2-[4-(3-ethoxy-3-oxopropoxy)phenyl]ethenyl]phenoxy]propanoate
CID 12559678
N-(4-aminophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 62369641
N-(4-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 5177300

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]phenoxy]propanoate?
The IUPAC name of ethyl 3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]phenoxy]propanoate (CID 57309222) is ethyl 3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]phenoxy]propanoate.
What is the SMILES notation for ethyl 3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]phenoxy]propanoate?
The canonical SMILES for ethyl 3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]phenoxy]propanoate is CCOC(=O)CCOc1ccc(NC(=O)N2CCN(C3CCNCC3)CC2)cc1.
What is the InChIKey of ethyl 3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]phenoxy]propanoate?
The InChIKey is UIUVQUQXBRDLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O4/c1-2-28-20(26)9-16-29-19-5-3-17(4-6-19)23-21(27)25-14-12-24(13-15-25)18-7-10-22-11-8-18/h3-6,18,22H,2,7-16H2,1H3,(H,23,27).
What are the key properties of ethyl 3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]phenoxy]propanoate?
ethyl 3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]phenoxy]propanoate has a molecular weight of 404.51 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]phenoxy]propanoate is sourced from PubChem (CID 57309222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).