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

C17H27N3O2 — CID 113103966

IUPACN-[(2-methoxyphenyl)methyl]-4-(2-methylpropyl)piperazine-1-carboxamide
SMILESCOc1ccccc1CNC(=O)N1CCN(CC(C)C)CC1
InChIInChI=1S/C17H27N3O2/c1-14(2)13-19-8-10-20(11-9-19)17(21)18-12-15-6-4-5-7-16(15)22-3/h4-7,14H,8-13H2,1-3H3,(H,18,21)
InChIKeyMOUCIUCFCWHQPI-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.18
Rot. Bonds5

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

N-[(2-methoxyphenyl)methyl]-4-(2-methylpropyl)piperazine-1-carboxamide (PubChem CID 113103966) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-4-(2-methylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-4-(2-methylpropyl)piperazine-1-carboxamide
PubChem CID113103966
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-[(2-methoxyphenyl)methyl]-4-(2-methylpropyl)piperazine-1-carboxamide
SMILESCOc1ccccc1CNC(=O)N1CCN(CC(C)C)CC1
InChIInChI=1S/C17H27N3O2/c1-14(2)13-19-8-10-20(11-9-19)17(21)18-12-15-6-4-5-7-16(15)22-3/h4-7,14H,8-13H2,1-3H3,(H,18,21)
InChIKeyMOUCIUCFCWHQPI-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 38150329
N-benzyl-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 858309
N-benzyl-4-(2-methylpropyl)piperazine-1-carboxamide
CID 47120826
N-[(2-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 38197349
4-[2-(4-methoxyphenoxy)ethyl]-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 33252826
4-(3,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108119
methyl 4-[4-[(2-methoxyphenyl)methylcarbamoyl]piperazin-1-yl]benzoate
CID 113108106
4-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 39722655
4-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27133567
4-(5-chloro-2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108091
N-[(2-methoxyphenyl)methyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 53167148
N-[2-(2-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine-1-carboxamide
CID 113103333

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-4-(2-methylpropyl)piperazine-1-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-4-(2-methylpropyl)piperazine-1-carboxamide (CID 113103966) is N-[(2-methoxyphenyl)methyl]-4-(2-methylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-4-(2-methylpropyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-4-(2-methylpropyl)piperazine-1-carboxamide is COc1ccccc1CNC(=O)N1CCN(CC(C)C)CC1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-4-(2-methylpropyl)piperazine-1-carboxamide?
The InChIKey is MOUCIUCFCWHQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-14(2)13-19-8-10-20(11-9-19)17(21)18-12-15-6-4-5-7-16(15)22-3/h4-7,14H,8-13H2,1-3H3,(H,18,21).
What are the key properties of N-[(2-methoxyphenyl)methyl]-4-(2-methylpropyl)piperazine-1-carboxamide?
N-[(2-methoxyphenyl)methyl]-4-(2-methylpropyl)piperazine-1-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-4-(2-methylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 113103966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).