N-[3-[2-methoxy-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide

C25H34N4O3 — CID 143531621

IUPACN-[3-[2-methoxy-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide
SMILESCOc1cc(NC(=O)NCCCCN2CCCCC2)ccc1-c1cccc(NC(C)=O)c1
InChIInChI=1S/C25H34N4O3/c1-19(30)27-21-10-8-9-20(17-21)23-12-11-22(18-24(23)32-2)28-25(31)26-13-4-7-16-29-14-5-3-6-15-29/h8-12,17-18H,3-7,13-16H2,1-2H3,(H,27,30)(H2,26,28,31)
InChIKeyPPWSBLOIYYQUQS-UHFFFAOYSA-N
MW438.57 g/mol
LogP4.71
Rot. Bonds9

About N-[3-[2-methoxy-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide

N-[3-[2-methoxy-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide (PubChem CID 143531621) has the molecular formula C25H34N4O3 and a molecular weight of 438.57 g/mol. Its IUPAC name is N-[3-[2-methoxy-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-methoxy-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide
PubChem CID143531621
Molecular FormulaC25H34N4O3
Molecular Weight438.57 g/mol
Exact Mass438.26
IUPAC NameN-[3-[2-methoxy-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide
SMILESCOc1cc(NC(=O)NCCCCN2CCCCC2)ccc1-c1cccc(NC(C)=O)c1
InChIInChI=1S/C25H34N4O3/c1-19(30)27-21-10-8-9-20(17-21)23-12-11-22(18-24(23)32-2)28-25(31)26-13-4-7-16-29-14-5-3-6-15-29/h8-12,17-18H,3-7,13-16H2,1-2H3,(H,27,30)(H2,26,28,31)
InChIKeyPPWSBLOIYYQUQS-UHFFFAOYSA-N
XLogP4.71
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[2-methoxy-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[3-fluoro-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide
CID 143531645
1-[4-(3-methoxyphenyl)phenyl]-3-(3-piperidin-1-ylpropyl)urea
CID 143531596
1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-[4-[3-(prop-1-en-2-ylamino)phenyl]phenyl]urea
CID 59840365
1-(4-amino-3-methoxyphenyl)-3-(2-pyrrolidin-1-ylethyl)urea
CID 89176278
1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylbutyl)urea
CID 87006985
1-(4-bromophenyl)-3-(4-piperidin-1-ylbutyl)urea
CID 46831360
1-(4-piperidin-1-ylbutyl)-3-(4-thiophen-2-ylphenyl)urea
CID 59152408
1-(3-nitrophenyl)-3-(3-piperidin-1-ylpropyl)urea
CID 24626894
methyl 3-(3-piperidin-1-ylpropylcarbamothioylamino)benzoate
CID 100620973
1-[4-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]butyl]-3-(3-methoxyphenyl)urea
CID 22393472
1-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-3-(3-pyrrolidin-1-ylpropyl)urea
CID 74241065
1-(3,4-dimethoxyphenyl)-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea
CID 90522900

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-methoxy-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide?
The IUPAC name of N-[3-[2-methoxy-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide (CID 143531621) is N-[3-[2-methoxy-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-methoxy-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide?
The canonical SMILES for N-[3-[2-methoxy-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide is COc1cc(NC(=O)NCCCCN2CCCCC2)ccc1-c1cccc(NC(C)=O)c1.
What is the InChIKey of N-[3-[2-methoxy-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide?
The InChIKey is PPWSBLOIYYQUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3/c1-19(30)27-21-10-8-9-20(17-21)23-12-11-22(18-24(23)32-2)28-25(31)26-13-4-7-16-29-14-5-3-6-15-29/h8-12,17-18H,3-7,13-16H2,1-2H3,(H,27,30)(H2,26,28,31).
What are the key properties of N-[3-[2-methoxy-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide?
N-[3-[2-methoxy-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide has a molecular weight of 438.57 g/mol, XLogP of 4.71, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-methoxy-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide is sourced from PubChem (CID 143531621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).