4-benzyl-N-(3-butan-2-yloxyphenyl)piperazine-1-carboxamide

C22H29N3O2 — CID 60582953

IUPAC4-benzyl-N-(3-butan-2-yloxyphenyl)piperazine-1-carboxamide
SMILESCCC(C)Oc1cccc(NC(=O)N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C22H29N3O2/c1-3-18(2)27-21-11-7-10-20(16-21)23-22(26)25-14-12-24(13-15-25)17-19-8-5-4-6-9-19/h4-11,16,18H,3,12-15,17H2,1-2H3,(H,23,26)
InChIKeyULYGIYYBGDGPMP-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.21
Rot. Bonds6

About 4-benzyl-N-(3-butan-2-yloxyphenyl)piperazine-1-carboxamide

4-benzyl-N-(3-butan-2-yloxyphenyl)piperazine-1-carboxamide (PubChem CID 60582953) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 4-benzyl-N-(3-butan-2-yloxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(3-butan-2-yloxyphenyl)piperazine-1-carboxamide
PubChem CID60582953
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name4-benzyl-N-(3-butan-2-yloxyphenyl)piperazine-1-carboxamide
SMILESCCC(C)Oc1cccc(NC(=O)N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C22H29N3O2/c1-3-18(2)27-21-11-7-10-20(16-21)23-22(26)25-14-12-24(13-15-25)17-19-8-5-4-6-9-19/h4-11,16,18H,3,12-15,17H2,1-2H3,(H,23,26)
InChIKeyULYGIYYBGDGPMP-UHFFFAOYSA-N
XLogP4.21
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-N-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide
CID 71829739
4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 6470727
1-N-(3-butan-2-yloxyphenyl)-3-N-ethylpiperidine-1,3-dicarboxamide
CID 49117902
4-benzyl-N-(3,4,5-triethoxyphenyl)piperazine-1-carboxamide
CID 108869729
4-[(4-methoxyphenyl)methyl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 17184547
4-[(3-fluorophenyl)methyl]-N-phenylpiperazine-1-carboxamide
CID 71456901
(3aS,4R,7R,7aS)-N-[3-[(2S)-butan-2-yl]oxyphenyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboxamide
CID 129378260
4-[(2R)-2-hydroxypropyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 95145813
methyl 4-[(4-benzylpiperazine-1-carbonyl)amino]benzoate
CID 47039900
3-[[4-[(3-methylphenyl)carbamoyl]piperazin-1-yl]methyl]benzoic acid
CID 122028905
4-[(4-benzylpiperazin-1-yl)methyl]-N-(3-methoxyphenyl)benzamide
CID 1362665
[1-benzyl-4-[(2R)-butan-2-yl]oxyindol-2-yl]-(4-benzylpiperazin-1-yl)methanone
CID 93123879

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(3-butan-2-yloxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-benzyl-N-(3-butan-2-yloxyphenyl)piperazine-1-carboxamide (CID 60582953) is 4-benzyl-N-(3-butan-2-yloxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-(3-butan-2-yloxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-(3-butan-2-yloxyphenyl)piperazine-1-carboxamide is CCC(C)Oc1cccc(NC(=O)N2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of 4-benzyl-N-(3-butan-2-yloxyphenyl)piperazine-1-carboxamide?
The InChIKey is ULYGIYYBGDGPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-3-18(2)27-21-11-7-10-20(16-21)23-22(26)25-14-12-24(13-15-25)17-19-8-5-4-6-9-19/h4-11,16,18H,3,12-15,17H2,1-2H3,(H,23,26).
What are the key properties of 4-benzyl-N-(3-butan-2-yloxyphenyl)piperazine-1-carboxamide?
4-benzyl-N-(3-butan-2-yloxyphenyl)piperazine-1-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(3-butan-2-yloxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 60582953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).