tert-butyl formate;N-(4-methoxyphenyl)piperazine-1-carboxamide

C17H27N3O4 — CID 174768397

IUPACtert-butyl formate;N-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCC(C)(C)OC=O.COc1ccc(NC(=O)N2CCNCC2)cc1
InChIInChI=1S/C12H17N3O2.C5H10O2/c1-17-11-4-2-10(3-5-11)14-12(16)15-8-6-13-7-9-15;1-5(2,3)7-4-6/h2-5,13H,6-9H2,1H3,(H,14,16);4H,1-3H3
InChIKeyAEUQJBSAJMLFMF-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.09
Rot. Bonds3

About tert-butyl formate;N-(4-methoxyphenyl)piperazine-1-carboxamide

tert-butyl formate;N-(4-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 174768397) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is tert-butyl formate;N-(4-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Nametert-butyl formate;N-(4-methoxyphenyl)piperazine-1-carboxamide
PubChem CID174768397
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Nametert-butyl formate;N-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCC(C)(C)OC=O.COc1ccc(NC(=O)N2CCNCC2)cc1
InChIInChI=1S/C12H17N3O2.C5H10O2/c1-17-11-4-2-10(3-5-11)14-12(16)15-8-6-13-7-9-15;1-5(2,3)7-4-6/h2-5,13H,6-9H2,1H3,(H,14,16);4H,1-3H3
InChIKeyAEUQJBSAJMLFMF-UHFFFAOYSA-N
XLogP2.09
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide
CID 16771863
N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperazine-1-carboxamide
CID 95481288
N-(4-methoxyphenyl)-1,6-diazacycloundecane-1-carboxamide
CID 144843106
N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 82087160
3-(2-amino-2-oxoethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 69348541
N-(4-methoxyphenyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 3235204
N-(4-methoxyphenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 169490460
N-(4-methoxyphenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide;hydrochloride
CID 169490459
1-N-(4-methoxyphenyl)-4-N-methyl-1,4-diazepane-1,4-dicarboxamide
CID 23800038
N-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 6470039
N-(4-methoxyphenyl)diazepane-1-carboxamide
CID 142097805
4-cyclopropyl-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 47455403

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;N-(4-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of tert-butyl formate;N-(4-methoxyphenyl)piperazine-1-carboxamide (CID 174768397) is tert-butyl formate;N-(4-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for tert-butyl formate;N-(4-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for tert-butyl formate;N-(4-methoxyphenyl)piperazine-1-carboxamide is CC(C)(C)OC=O.COc1ccc(NC(=O)N2CCNCC2)cc1.
What is the InChIKey of tert-butyl formate;N-(4-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is AEUQJBSAJMLFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2.C5H10O2/c1-17-11-4-2-10(3-5-11)14-12(16)15-8-6-13-7-9-15;1-5(2,3)7-4-6/h2-5,13H,6-9H2,1H3,(H,14,16);4H,1-3H3.
What are the key properties of tert-butyl formate;N-(4-methoxyphenyl)piperazine-1-carboxamide?
tert-butyl formate;N-(4-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;N-(4-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 174768397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).