N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperazine-1-carboxamide

C15H23N3O2 — CID 95481288

IUPACN-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperazine-1-carboxamide
SMILESCC(C)(C)Oc1ccc(NC(=O)N2CCNCC2)cc1
InChIInChI=1S/C15H23N3O2/c1-15(2,3)20-13-6-4-12(5-7-13)17-14(19)18-10-8-16-9-11-18/h4-7,16H,8-11H2,1-3H3,(H,17,19)
InChIKeyMFNYOERAUXECSN-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.30
Rot. Bonds2

About N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperazine-1-carboxamide

N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperazine-1-carboxamide (PubChem CID 95481288) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperazine-1-carboxamide
PubChem CID95481288
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperazine-1-carboxamide
SMILESCC(C)(C)Oc1ccc(NC(=O)N2CCNCC2)cc1
InChIInChI=1S/C15H23N3O2/c1-15(2,3)20-13-6-4-12(5-7-13)17-14(19)18-10-8-16-9-11-18/h4-7,16H,8-11H2,1-3H3,(H,17,19)
InChIKeyMFNYOERAUXECSN-UHFFFAOYSA-N
XLogP2.30
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl formate;N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 174768397
N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 82087160
N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide
CID 16771863
(3S)-3-methyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 104976383
N-(4-iodophenyl)piperazine-1-carboxamide;hydrochloride
CID 165429741
1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122085523
N-(4-nitrophenyl)piperazine-1-carboxamide
CID 22614387
N-(4-methoxyphenyl)-1,6-diazacycloundecane-1-carboxamide
CID 144843106
tert-butyl cyclohexanecarboxylate;N-(4-fluorophenyl)piperazine-1-carboxamide
CID 142234485
N-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47193651
4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-4-carboxamide;hydrochloride
CID 119752834
3-(1H-imidazol-2-yl)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-1-carboxamide
CID 75422963

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperazine-1-carboxamide?
The IUPAC name of N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperazine-1-carboxamide (CID 95481288) is N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperazine-1-carboxamide?
The canonical SMILES for N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperazine-1-carboxamide is CC(C)(C)Oc1ccc(NC(=O)N2CCNCC2)cc1.
What is the InChIKey of N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperazine-1-carboxamide?
The InChIKey is MFNYOERAUXECSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-15(2,3)20-13-6-4-12(5-7-13)17-14(19)18-10-8-16-9-11-18/h4-7,16H,8-11H2,1-3H3,(H,17,19).
What are the key properties of N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperazine-1-carboxamide?
N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperazine-1-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 95481288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).