N-(4-ethoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide

C17H27N3O2 — CID 17184958

IUPACN-(4-ethoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCN(CC(C)C)CC2)cc1
InChIInChI=1S/C17H27N3O2/c1-4-22-16-7-5-15(6-8-16)18-17(21)20-11-9-19(10-12-20)13-14(2)3/h5-8,14H,4,9-13H2,1-3H3,(H,18,21)
InChIKeyWCOVZFAKWSMPCJ-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.89
Rot. Bonds5

About N-(4-ethoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide

N-(4-ethoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide (PubChem CID 17184958) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
PubChem CID17184958
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-(4-ethoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCN(CC(C)C)CC2)cc1
InChIInChI=1S/C17H27N3O2/c1-4-22-16-7-5-15(6-8-16)18-17(21)20-11-9-19(10-12-20)13-14(2)3/h5-8,14H,4,9-13H2,1-3H3,(H,18,21)
InChIKeyWCOVZFAKWSMPCJ-UHFFFAOYSA-N
XLogP2.89
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chlorophenyl)methyl]-N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 6470193
N-(4-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 5177300
N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 82087160
4-(4-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112384
N-(3,4-dipropoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 55695184
N-(4-ethoxyphenyl)-4-ethylpiperazin-4-ium-1-carboxamide
CID 7165091
N-(4-ethoxyphenyl)-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105474
N-(4-ethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986398
N-(3-acetamidophenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113104003
2-[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 20970562
N-(3-chloro-4-methoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113103998
N-(3,5-dichlorophenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 17184931

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide (CID 17184958) is N-(4-ethoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide is CCOc1ccc(NC(=O)N2CCN(CC(C)C)CC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide?
The InChIKey is WCOVZFAKWSMPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-4-22-16-7-5-15(6-8-16)18-17(21)20-11-9-19(10-12-20)13-14(2)3/h5-8,14H,4,9-13H2,1-3H3,(H,18,21).
What are the key properties of N-(4-ethoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide?
N-(4-ethoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 17184958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).