N-(3-methoxypropyl)-2-[4-[4-(phenylcarbamoylamino)benzoyl]piperazin-1-yl]acetamide

C24H31N5O4 — CID 55429139

IUPACN-(3-methoxypropyl)-2-[4-[4-(phenylcarbamoylamino)benzoyl]piperazin-1-yl]acetamide
SMILESCOCCCNC(=O)CN1CCN(C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)CC1
InChIInChI=1S/C24H31N5O4/c1-33-17-5-12-25-22(30)18-28-13-15-29(16-14-28)23(31)19-8-10-21(11-9-19)27-24(32)26-20-6-3-2-4-7-20/h2-4,6-11H,5,12-18H2,1H3,(H,25,30)(H2,26,27,32)
InChIKeyAEWFUDJOKJOBQS-UHFFFAOYSA-N
MW453.54 g/mol
LogP2.24
Rot. Bonds9

About N-(3-methoxypropyl)-2-[4-[4-(phenylcarbamoylamino)benzoyl]piperazin-1-yl]acetamide

N-(3-methoxypropyl)-2-[4-[4-(phenylcarbamoylamino)benzoyl]piperazin-1-yl]acetamide (PubChem CID 55429139) has the molecular formula C24H31N5O4 and a molecular weight of 453.54 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[4-[4-(phenylcarbamoylamino)benzoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[4-[4-(phenylcarbamoylamino)benzoyl]piperazin-1-yl]acetamide
PubChem CID55429139
Molecular FormulaC24H31N5O4
Molecular Weight453.54 g/mol
Exact Mass453.24
IUPAC NameN-(3-methoxypropyl)-2-[4-[4-(phenylcarbamoylamino)benzoyl]piperazin-1-yl]acetamide
SMILESCOCCCNC(=O)CN1CCN(C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)CC1
InChIInChI=1S/C24H31N5O4/c1-33-17-5-12-25-22(30)18-28-13-15-29(16-14-28)23(31)19-8-10-21(11-9-19)27-24(32)26-20-6-3-2-4-7-20/h2-4,6-11H,5,12-18H2,1H3,(H,25,30)(H2,26,27,32)
InChIKeyAEWFUDJOKJOBQS-UHFFFAOYSA-N
XLogP2.24
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 52.24
H-Bond Donors ≤ 53
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-methoxypropyl)-2-[4-[2-oxo-2-(phenylcarbamoylamino)ethyl]piperazin-1-yl]acetamide
CID 24507369
N-(3-methoxypropyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]acetamide
CID 8945118
N-(3-methoxypropyl)-2-[4-[4-(thiophen-2-ylsulfonylamino)benzoyl]piperazin-1-yl]acetamide
CID 55428456
N-(2-methoxyethyl)-2-[4-(4-phenoxybenzoyl)piperazin-1-yl]acetamide
CID 8541477
2-(4-benzoylpiperazin-1-yl)-N-pentylacetamide
CID 8597427
N-(2-methoxyethyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]acetamide
CID 8541485
2-[4-(3-ethoxy-4-methoxybenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55429129
N-(3-methoxypropyl)-2-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperazin-1-yl]acetamide
CID 55550560
N-(3-methoxypropyl)-2-[4-(3-methyl-4-nitrobenzoyl)piperazin-1-yl]acetamide
CID 8945123
4-(3-methoxypropylcarbamoylamino)-N-phenylbenzamide
CID 52793055
N-(3-methoxypropyl)-2-[4-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperazin-1-yl]acetamide
CID 55518105
3-[[N-benzyl-C-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]carbonimidoyl]amino]benzoic acid
CID 50801139

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[4-[4-(phenylcarbamoylamino)benzoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[4-[4-(phenylcarbamoylamino)benzoyl]piperazin-1-yl]acetamide (CID 55429139) is N-(3-methoxypropyl)-2-[4-[4-(phenylcarbamoylamino)benzoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[4-[4-(phenylcarbamoylamino)benzoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[4-[4-(phenylcarbamoylamino)benzoyl]piperazin-1-yl]acetamide is COCCCNC(=O)CN1CCN(C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)CC1.
What is the InChIKey of N-(3-methoxypropyl)-2-[4-[4-(phenylcarbamoylamino)benzoyl]piperazin-1-yl]acetamide?
The InChIKey is AEWFUDJOKJOBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O4/c1-33-17-5-12-25-22(30)18-28-13-15-29(16-14-28)23(31)19-8-10-21(11-9-19)27-24(32)26-20-6-3-2-4-7-20/h2-4,6-11H,5,12-18H2,1H3,(H,25,30)(H2,26,27,32).
What are the key properties of N-(3-methoxypropyl)-2-[4-[4-(phenylcarbamoylamino)benzoyl]piperazin-1-yl]acetamide?
N-(3-methoxypropyl)-2-[4-[4-(phenylcarbamoylamino)benzoyl]piperazin-1-yl]acetamide has a molecular weight of 453.54 g/mol, XLogP of 2.24, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[4-[4-(phenylcarbamoylamino)benzoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55429139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).