N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide

C16H25N3O2 — CID 6468080

IUPACN-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C16H25N3O2/c1-3-4-9-17-16(20)19-12-10-18(11-13-19)14-7-5-6-8-15(14)21-2/h5-8H,3-4,9-13H2,1-2H3,(H,17,20)
InChIKeyGECTVNBFUJWLTL-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.33
Rot. Bonds5

About N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide

N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 6468080) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
PubChem CID6468080
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C16H25N3O2/c1-3-4-9-17-16(20)19-12-10-18(11-13-19)14-7-5-6-8-15(14)21-2/h5-8H,3-4,9-13H2,1-2H3,(H,17,20)
InChIKeyGECTVNBFUJWLTL-UHFFFAOYSA-N
XLogP2.33
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-methoxyphenyl)-N-pentylpiperazine-1-carboxamide
CID 41353621
N-butyl-4-(2-chlorophenyl)piperazine-1-carboxamide
CID 3398224
N-butyl-4-(2-tert-butylphenyl)piperazine-1-carboxamide
CID 113103888
4-(2-methoxyphenyl)-N-(2-phenoxyethyl)piperazine-1-carboxamide
CID 108887102
4-(2-methoxyphenyl)-N-(2-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 51274227
4-(2-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide
CID 113103270
N-butyl-4-phenylpiperazine-1-carboxamide
CID 3547607
1-[4-(2-methoxyphenyl)piperazin-1-yl]octadecan-1-one
CID 156635306
4-(2-ethoxyphenyl)-N-[3-(4-methoxyphenyl)propyl]piperazine-1-carboxamide
CID 60542874
N-(3-chloropropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108513767
4-(2-methoxyphenyl)-N-prop-1-en-2-ylpiperazine-1-carboxamide
CID 108910374
4-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 39722655

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide (CID 6468080) is N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide is CCCCNC(=O)N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is GECTVNBFUJWLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-4-9-17-16(20)19-12-10-18(11-13-19)14-7-5-6-8-15(14)21-2/h5-8H,3-4,9-13H2,1-2H3,(H,17,20).
What are the key properties of N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide?
N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 6468080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).