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

C20H25N3O2 — CID 858309

IUPACN-benzyl-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
SMILESCOc1ccccc1CN1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C20H25N3O2/c1-25-19-10-6-5-9-18(19)16-22-11-13-23(14-12-22)20(24)21-15-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H,21,24)
InChIKeyLLQOGQDQVXDQAX-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.72
Rot. Bonds5

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

N-benzyl-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide (PubChem CID 858309) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-benzyl-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
PubChem CID858309
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-benzyl-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
SMILESCOc1ccccc1CN1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C20H25N3O2/c1-25-19-10-6-5-9-18(19)16-22-11-13-23(14-12-22)20(24)21-15-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H,21,24)
InChIKeyLLQOGQDQVXDQAX-UHFFFAOYSA-N
XLogP2.72
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 38197349
N,4-dibenzylpiperazine-1-carboxamide;ethane
CID 91343107
N-[(2-methoxyphenyl)methyl]-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113103966
N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 38150329
N-[(3-chlorophenyl)methyl]-4-[(2-ethoxyphenyl)methyl]piperazine-1-carboxamide
CID 110357396
4-benzyl-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27517759
N-[(4-fluorophenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 38159048
4-[(2-methoxyphenyl)methyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]piperazine-1-carboxamide
CID 122564788
N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 126431258
4-[2-(4-methoxyphenoxy)ethyl]-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 33252826
N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27516945
N-[(3,4-dimethoxyphenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 38198135

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-benzyl-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide (CID 858309) is N-benzyl-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-benzyl-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide is COc1ccccc1CN1CCN(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is LLQOGQDQVXDQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-25-19-10-6-5-9-18(19)16-22-11-13-23(14-12-22)20(24)21-15-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H,21,24).
What are the key properties of N-benzyl-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide?
N-benzyl-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 858309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).