N-(2-tert-butylphenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide

C23H31N3O2 — CID 113108148

IUPACN-(2-tert-butylphenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
SMILESCOc1ccc(CN2CCN(C(=O)Nc3ccccc3C(C)(C)C)CC2)cc1
InChIInChI=1S/C23H31N3O2/c1-23(2,3)20-7-5-6-8-21(20)24-22(27)26-15-13-25(14-16-26)17-18-9-11-19(28-4)12-10-18/h5-12H,13-17H2,1-4H3,(H,24,27)
InChIKeyPAIXHKDAUKQRLS-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.34
Rot. Bonds4

About N-(2-tert-butylphenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide

N-(2-tert-butylphenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide (PubChem CID 113108148) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
PubChem CID113108148
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC NameN-(2-tert-butylphenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
SMILESCOc1ccc(CN2CCN(C(=O)Nc3ccccc3C(C)(C)C)CC2)cc1
InChIInChI=1S/C23H31N3O2/c1-23(2,3)20-7-5-6-8-21(20)24-22(27)26-15-13-25(14-16-26)17-18-9-11-19(28-4)12-10-18/h5-12H,13-17H2,1-4H3,(H,24,27)
InChIKeyPAIXHKDAUKQRLS-UHFFFAOYSA-N
XLogP4.34
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-tert-butylphenyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113108670
N-(2-fluorophenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 17184554
N-(2,3-dichlorophenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 17184568
N-(2-ethoxyphenyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carboxamide
CID 86987229
N-(2-tert-butylphenyl)-4-propylpiperazine-1-carboxamide
CID 113103174
N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27516945
N-(2-tert-butylphenyl)-2-(4-methoxyphenyl)acetamide
CID 890877
4-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 6470831
4-[(4-methoxyphenyl)methyl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 17184547
N-[(2-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27534875
methyl 2-[(4-benzylpiperazine-1-carbonyl)amino]benzoate
CID 59740832
N-(2-tert-butylphenyl)-4-[2-(N-methylanilino)-2-oxoethyl]piperazine-1-carboxamide
CID 3849424

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide (CID 113108148) is N-(2-tert-butylphenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide is COc1ccc(CN2CCN(C(=O)Nc3ccccc3C(C)(C)C)CC2)cc1.
What is the InChIKey of N-(2-tert-butylphenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is PAIXHKDAUKQRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-23(2,3)20-7-5-6-8-21(20)24-22(27)26-15-13-25(14-16-26)17-18-9-11-19(28-4)12-10-18/h5-12H,13-17H2,1-4H3,(H,24,27).
What are the key properties of N-(2-tert-butylphenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide?
N-(2-tert-butylphenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 113108148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).