N-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide

C21H27N3O3 — CID 113113577

IUPACN-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(c3ccc(OC(C)C)cc3)CC2)c1
InChIInChI=1S/C21H27N3O3/c1-16(2)27-19-9-7-18(8-10-19)23-11-13-24(14-12-23)21(25)22-17-5-4-6-20(15-17)26-3/h4-10,15-16H,11-14H2,1-3H3,(H,22,25)
InChIKeyMHFOYIRUSZWIAL-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.84
Rot. Bonds5

About N-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide

N-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide (PubChem CID 113113577) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
PubChem CID113113577
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(c3ccc(OC(C)C)cc3)CC2)c1
InChIInChI=1S/C21H27N3O3/c1-16(2)27-19-9-7-18(8-10-19)23-11-13-24(14-12-23)21(25)22-17-5-4-6-20(15-17)26-3/h4-10,15-16H,11-14H2,1-3H3,(H,22,25)
InChIKeyMHFOYIRUSZWIAL-UHFFFAOYSA-N
XLogP3.84
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
4-(4-acetamidophenyl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113113951
4-(3-methoxyphenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 16645833
4-(4-fluorophenyl)-N-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide
CID 95395014
N-(1,3-benzodioxol-5-yl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113113934
4-(3-cyanophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113611
N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2982408
4-[(2R)-2-hydroxypropyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 95145813
N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide
CID 3615404
4-tert-butyl-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113110333
N-[2-(3-methoxyanilino)-2-oxoethyl]-4-phenylpiperazine-1-carboxamide
CID 53370700
4-(3-methoxyphenyl)-N-(6-propan-2-yloxypyridazin-3-yl)piperazine-1-carboxamide
CID 136541606

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide (CID 113113577) is N-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide is COc1cccc(NC(=O)N2CCN(c3ccc(OC(C)C)cc3)CC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The InChIKey is MHFOYIRUSZWIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-16(2)27-19-9-7-18(8-10-19)23-11-13-24(14-12-23)21(25)22-17-5-4-6-20(15-17)26-3/h4-10,15-16H,11-14H2,1-3H3,(H,22,25).
What are the key properties of N-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?
N-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113113577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).