N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]morpholine-4-carboxamide

C20H32N4O3 — CID 127025277

IUPACN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]morpholine-4-carboxamide
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)N2CCOCC2)CC1
InChIInChI=1S/C20H32N4O3/c1-26-19-7-3-2-6-18(19)23-12-10-22(11-13-23)9-5-4-8-21-20(25)24-14-16-27-17-15-24/h2-3,6-7H,4-5,8-17H2,1H3,(H,21,25)
InChIKeyVOCJQDHVNNMIHT-UHFFFAOYSA-N
MW376.50 g/mol
LogP1.64
Rot. Bonds7

About N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]morpholine-4-carboxamide

N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]morpholine-4-carboxamide (PubChem CID 127025277) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]morpholine-4-carboxamide
PubChem CID127025277
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]morpholine-4-carboxamide
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)N2CCOCC2)CC1
InChIInChI=1S/C20H32N4O3/c1-26-19-7-3-2-6-18(19)23-12-10-22(11-13-23)9-5-4-8-21-20(25)24-14-16-27-17-15-24/h2-3,6-7H,4-5,8-17H2,1H3,(H,21,25)
InChIKeyVOCJQDHVNNMIHT-UHFFFAOYSA-N
XLogP1.64
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 51.64
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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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]morpholine-4-carboxamide?
The IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]morpholine-4-carboxamide (CID 127025277) is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]morpholine-4-carboxamide?
The canonical SMILES for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]morpholine-4-carboxamide is COc1ccccc1N1CCN(CCCCNC(=O)N2CCOCC2)CC1.
What is the InChIKey of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]morpholine-4-carboxamide?
The InChIKey is VOCJQDHVNNMIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-26-19-7-3-2-6-18(19)23-12-10-22(11-13-23)9-5-4-8-21-20(25)24-14-16-27-17-15-24/h2-3,6-7H,4-5,8-17H2,1H3,(H,21,25).
What are the key properties of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]morpholine-4-carboxamide?
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]morpholine-4-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]morpholine-4-carboxamide is sourced from PubChem (CID 127025277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).